 Entering Gaussian System, Link 0=g16
 Input=21_phenylethanol_conformer02_STD_wB97XD_augccpVDZ.in
 Output=21_phenylethanol_conformer02_STD_wB97XD_augccpVDZ.log
 AtFile(1): /user/pierpa/basis_sets/augccpVDZ.gbs
            -H     0
            S    4   1.00
                  1.301000D+01           1.968500D-02
                  1.962000D+00           1.379770D-01
                  4.446000D-01           4.781480D-01
                  1.220000D-01           5.012400D-01
            S    1   1.00
                  1.220000D-01           1.000000D+00
            S    1   1.00
                  0.0297400              1.0000000
            P    1   1.00
                  7.270000D-01           1.0000000
            P    1   1.00
                  0.1410000              1.0000000
            ****
            -He     0
            S    4   1.00
                  3.836000D+01           2.380900D-02
                  5.770000D+00           1.548910D-01
                  1.240000D+00           4.699870D-01
                  2.976000D-01           5.130270D-01
            S    1   1.00
                  2.976000D-01           1.000000D+00
            S    1   1.00
                  0.0725500              1.0000000
            P    1   1.00
                  1.275000D+00           1.0000000
            P    1   1.00
                  0.2473000              1.0000000
            ****
            -Li     0
            S    9   1.00
                  1.469000D+03           7.660000D-04
                  2.205000D+02           5.892000D-03
                  5.026000D+01           2.967100D-02
                  1.424000D+01           1.091800D-01
                  4.581000D+00           2.827890D-01
                  1.580000D+00           4.531230D-01
                  5.640000D-01           2.747740D-01
                  7.345000D-02           9.751000D-03
                  2.805000D-02          -3.180000D-03
            S    9   1.00
                  1.469000D+03          -1.200000D-04
                  2.205000D+02          -9.230000D-04
                  5.026000D+01          -4.689000D-03
                  1.424000D+01          -1.768200D-02
                  4.581000D+00          -4.890200D-02
                  1.580000D+00          -9.600900D-02
                  5.640000D-01          -1.363800D-01
                  7.345000D-02           5.751020D-01
                  2.805000D-02           5.176610D-01
            S    1   1.00
                  2.805000D-02           1.000000D+00
            S    1   1.00
                  8.600000D-03           1.000000D+00
            P    4   1.00
                  1.534000D+00           2.278400D-02
                  2.749000D-01           1.391070D-01
                  7.362000D-02           5.003750D-01
                  2.403000D-02           5.084740D-01
            P    1   1.00
                  2.403000D-02           1.000000D+00
            P    1   1.00
                  5.800000D-03           1.000000D+00
            D    1   1.00
                  1.144000D-01           1.0000000
            D    1   1.00
                  7.330000D-02           1.000000D+00
            ****
            -Be     0
            S    9   1.00
                  2.940000D+03           6.800000D-04
                  4.412000D+02           5.236000D-03
                  1.005000D+02           2.660600D-02
                  2.843000D+01           9.999300D-02
                  9.169000D+00           2.697020D-01
                  3.196000D+00           4.514690D-01
                  1.159000D+00           2.950740D-01
                  1.811000D-01           1.258700D-02
                  5.890000D-02          -3.756000D-03
            S    9   1.00
                  2.940000D+03          -1.230000D-04
                  4.412000D+02          -9.660000D-04
                  1.005000D+02          -4.831000D-03
                  2.843000D+01          -1.931400D-02
                  9.169000D+00          -5.328000D-02
                  3.196000D+00          -1.207230D-01
                  1.159000D+00          -1.334350D-01
                  1.811000D-01           5.307670D-01
                  5.890000D-02           5.801170D-01
            S    1   1.00
                  5.890000D-02           1.000000D+00
            S    1   1.00
                  1.790000D-02           1.000000D+00
            P    4   1.00
                  3.619000D+00           2.911100D-02
                  7.110000D-01           1.693650D-01
                  1.951000D-01           5.134580D-01
                  6.018000D-02           4.793380D-01
            P    1   1.00
                  6.018000D-02           1.000000D+00
            P    1   1.00
                  1.110000D-02           1.000000D+00
            D    1   1.00
                  2.354000D-01           1.0000000
            D    1   1.00
                  7.220000D-02           1.000000D+00
            ****
            -B     0
            S    9   1.00
                  4.570000D+03           6.960000D-04
                  6.859000D+02           5.353000D-03
                  1.565000D+02           2.713400D-02
                  4.447000D+01           1.013800D-01
                  1.448000D+01           2.720550D-01
                  5.131000D+00           4.484030D-01
                  1.898000D+00           2.901230D-01
                  3.329000D-01           1.432200D-02
                  1.043000D-01          -3.486000D-03
            S    9   1.00
                  4.570000D+03          -1.390000D-04
                  6.859000D+02          -1.097000D-03
                  1.565000D+02          -5.444000D-03
                  4.447000D+01          -2.191600D-02
                  1.448000D+01          -5.975100D-02
                  5.131000D+00          -1.387320D-01
                  1.898000D+00          -1.314820D-01
                  3.329000D-01           5.395260D-01
                  1.043000D-01           5.807740D-01
            S    1   1.00
                  1.043000D-01           1.000000D+00
            S    1   1.00
                  0.0310500              1.0000000
            P    4   1.00
                  6.001000D+00           3.548100D-02
                  1.241000D+00           1.980720D-01
                  3.364000D-01           5.052300D-01
                  9.538000D-02           4.794990D-01
            P    1   1.00
                  9.538000D-02           1.000000D+00
            P    1   1.00
                  0.0237800              1.0000000
            D    1   1.00
                  3.430000D-01           1.0000000
            D    1   1.00
                  0.0904000              1.0000000
            ****
            -C     0
            S    9   1.00
                  6.665000D+03           6.920000D-04
                  1.000000D+03           5.329000D-03
                  2.280000D+02           2.707700D-02
                  6.471000D+01           1.017180D-01
                  2.106000D+01           2.747400D-01
                  7.495000D+00           4.485640D-01
                  2.797000D+00           2.850740D-01
                  5.215000D-01           1.520400D-02
                  1.596000D-01          -3.191000D-03
            S    9   1.00
                  6.665000D+03          -1.460000D-04
                  1.000000D+03          -1.154000D-03
                  2.280000D+02          -5.725000D-03
                  6.471000D+01          -2.331200D-02
                  2.106000D+01          -6.395500D-02
                  7.495000D+00          -1.499810D-01
                  2.797000D+00          -1.272620D-01
                  5.215000D-01           5.445290D-01
                  1.596000D-01           5.804960D-01
            S    1   1.00
                  1.596000D-01           1.000000D+00
            S    1   1.00
                  0.0469000              1.0000000
            P    4   1.00
                  9.439000D+00           3.810900D-02
                  2.002000D+00           2.094800D-01
                  5.456000D-01           5.085570D-01
                  1.517000D-01           4.688420D-01
            P    1   1.00
                  1.517000D-01           1.000000D+00
            P    1   1.00
                  0.0404100              1.0000000
            D    1   1.00
                  5.500000D-01           1.0000000
            D    1   1.00
                  0.1510000              1.0000000
            ****
            -N     0
            S    9   1.00
                  9.046000D+03           7.000000D-04
                  1.357000D+03           5.389000D-03
                  3.093000D+02           2.740600D-02
                  8.773000D+01           1.032070D-01
                  2.856000D+01           2.787230D-01
                  1.021000D+01           4.485400D-01
                  3.838000D+00           2.782380D-01
                  7.466000D-01           1.544000D-02
                  2.248000D-01          -2.864000D-03
            S    9   1.00
                  9.046000D+03          -1.530000D-04
                  1.357000D+03          -1.208000D-03
                  3.093000D+02          -5.992000D-03
                  8.773000D+01          -2.454400D-02
                  2.856000D+01          -6.745900D-02
                  1.021000D+01          -1.580780D-01
                  3.838000D+00          -1.218310D-01
                  7.466000D-01           5.490030D-01
                  2.248000D-01           5.788150D-01
            S    1   1.00
                  2.248000D-01           1.000000D+00
            S    1   1.00
                  0.0612400              1.0000000
            P    4   1.00
                  1.355000D+01           3.991900D-02
                  2.917000D+00           2.171690D-01
                  7.973000D-01           5.103190D-01
                  2.185000D-01           4.622140D-01
            P    1   1.00
                  2.185000D-01           1.000000D+00
            P    1   1.00
                  0.0561100              1.0000000
            D    1   1.00
                  8.170000D-01           1.0000000
            D    1   1.00
                  0.2300000              1.0000000
            ****
            -O     0
            S    9   1.00
                  1.172000D+04           7.100000D-04
                  1.759000D+03           5.470000D-03
                  4.008000D+02           2.783700D-02
                  1.137000D+02           1.048000D-01
                  3.703000D+01           2.830620D-01
                  1.327000D+01           4.487190D-01
                  5.025000D+00           2.709520D-01
                  1.013000D+00           1.545800D-02
                  3.023000D-01          -2.585000D-03
            S    9   1.00
                  1.172000D+04          -1.600000D-04
                  1.759000D+03          -1.263000D-03
                  4.008000D+02          -6.267000D-03
                  1.137000D+02          -2.571600D-02
                  3.703000D+01          -7.092400D-02
                  1.327000D+01          -1.654110D-01
                  5.025000D+00          -1.169550D-01
                  1.013000D+00           5.573680D-01
                  3.023000D-01           5.727590D-01
            S    1   1.00
                  3.023000D-01           1.000000D+00
            S    1   1.00
                  0.0789600              1.0000000
            P    4   1.00
                  1.770000D+01           4.301800D-02
                  3.854000D+00           2.289130D-01
                  1.046000D+00           5.087280D-01
                  2.753000D-01           4.605310D-01
            P    1   1.00
                  2.753000D-01           1.000000D+00
            P    1   1.00
                  0.0685600              1.0000000
            D    1   1.00
                  1.185000D+00           1.0000000
            D    1   1.00
                  0.3320000              1.0000000
            ****
            -F     0
            S    9   1.00
                  1.471000D+04           7.210000D-04
                  2.207000D+03           5.553000D-03
                  5.028000D+02           2.826700D-02
                  1.426000D+02           1.064440D-01
                  4.647000D+01           2.868140D-01
                  1.670000D+01           4.486410D-01
                  6.356000D+00           2.647610D-01
                  1.316000D+00           1.533300D-02
                  3.897000D-01          -2.332000D-03
            S    9   1.00
                  1.471000D+04          -1.650000D-04
                  2.207000D+03          -1.308000D-03
                  5.028000D+02          -6.495000D-03
                  1.426000D+02          -2.669100D-02
                  4.647000D+01          -7.369000D-02
                  1.670000D+01          -1.707760D-01
                  6.356000D+00          -1.123270D-01
                  1.316000D+00           5.628140D-01
                  3.897000D-01           5.687780D-01
            S    1   1.00
                  3.897000D-01           1.000000D+00
            S    1   1.00
                  0.0986300              1.0000000
            P    4   1.00
                  2.267000D+01           4.487800D-02
                  4.977000D+00           2.357180D-01
                  1.347000D+00           5.085210D-01
                  3.471000D-01           4.581200D-01
            P    1   1.00
                  3.471000D-01           1.000000D+00
            P    1   1.00
                  0.0850200              1.0000000
            D    1   1.00
                  1.640000D+00           1.0000000
            D    1   1.00
                  0.4640000              1.0000000
            ****
            -Ne     0
            S    9   1.00
                  1.788000D+04           7.380000D-04
                  2.683000D+03           5.677000D-03
                  6.115000D+02           2.888300D-02
                  1.735000D+02           1.085400D-01
                  5.664000D+01           2.909070D-01
                  2.042000D+01           4.483240D-01
                  7.810000D+00           2.580260D-01
                  1.653000D+00           1.506300D-02
                  4.869000D-01          -2.100000D-03
            S    9   1.00
                  1.788000D+04          -1.720000D-04
                  2.683000D+03          -1.357000D-03
                  6.115000D+02          -6.737000D-03
                  1.735000D+02          -2.766300D-02
                  5.664000D+01          -7.620800D-02
                  2.042000D+01          -1.752270D-01
                  7.810000D+00          -1.070380D-01
                  1.653000D+00           5.670500D-01
                  4.869000D-01           5.652160D-01
            S    1   1.00
                  4.869000D-01           1.000000D+00
            S    1   1.00
                  0.1230000              1.0000000
            P    4   1.00
                  2.839000D+01           4.608700D-02
                  6.270000D+00           2.401810D-01
                  1.695000D+00           5.087440D-01
                  4.317000D-01           4.556600D-01
            P    1   1.00
                  4.317000D-01           1.000000D+00
            P    1   1.00
                  0.1064000              1.0000000
            D    1   1.00
                  2.202000D+00           1.0000000
            D    1   1.00
                  0.6310000              1.0000000
            ****
            -Na     0
            S    12   1.00
                  3.170000D+04           4.588780D-04
                  4.755000D+03           3.550700D-03
                  1.082000D+03           1.826180D-02
                  3.064000D+02           7.166500D-02
                  9.953000D+01           2.123460D-01
                  3.542000D+01           4.162030D-01
                  1.330000D+01           3.730200D-01
                  4.392000D+00           6.250540D-02
                  1.676000D+00          -6.245320D-03
                  5.889000D-01           2.433740D-03
                  5.640000D-02          -4.423810D-04
                  2.307000D-02           2.419240D-04
            S    12   1.00
                  3.170000D+04          -1.121620D-04
                  4.755000D+03          -8.685120D-04
                  1.082000D+03          -4.513300D-03
                  3.064000D+02          -1.814360D-02
                  9.953000D+01          -5.807990D-02
                  3.542000D+01          -1.376530D-01
                  1.330000D+01          -1.939080D-01
                  4.392000D+00           8.580090D-02
                  1.676000D+00           6.044190D-01
                  5.889000D-01           4.417190D-01
                  5.640000D-02           1.305470D-02
                  2.307000D-02          -5.680850D-03
            S    12   1.00
                  3.170000D+04           1.701600D-05
                  4.755000D+03           1.306930D-04
                  1.082000D+03           6.877840D-04
                  3.064000D+02           2.723590D-03
                  9.953000D+01           8.955290D-03
                  3.542000D+01           2.078320D-02
                  1.330000D+01           3.193800D-02
                  4.392000D+00          -1.913680D-02
                  1.676000D+00          -1.025950D-01
                  5.889000D-01          -1.989450D-01
                  5.640000D-02           6.559520D-01
                  2.307000D-02           4.311530D-01
            S    1   1.00
                  2.307000D-02           1.000000D+00
            S    1   1.00
                  7.200000D-03           1.000000D+00
            P    8   1.00
                  1.381000D+02           5.796410D-03
                  3.224000D+01           4.157560D-02
                  9.985000D+00           1.628730D-01
                  3.484000D+00           3.594010D-01
                  1.231000D+00           4.499880D-01
                  4.177000D-01           2.275070D-01
                  6.513000D-02           8.082470D-03
                  2.053000D-02          -1.962930D-03
            P    8   1.00
                  1.381000D+02          -5.815310D-04
                  3.224000D+01          -4.073060D-03
                  9.985000D+00          -1.679370D-02
                  3.484000D+00          -3.532680D-02
                  1.231000D+00          -5.219710D-02
                  4.177000D-01          -1.683590D-02
                  6.513000D-02           4.346130D-01
                  2.053000D-02           6.582180D-01
            P    1   1.00
                  2.053000D-02           1.000000D+00
            P    1   1.00
                  5.700000D-03           1.000000D+00
            D    1   1.00
                  9.280000D-02           1.0000000
            D    1   1.00
                  4.800000D-02           1.000000D+00
            ****
            -Mg     0
            S    12   1.00
                  4.739000D+04           3.460230D-04
                  7.108000D+03           2.680770D-03
                  1.618000D+03           1.383670D-02
                  4.584000D+02           5.517670D-02
                  1.493000D+02           1.696600D-01
                  5.359000D+01           3.647030D-01
                  2.070000D+01           4.068560D-01
                  8.384000D+00           1.350890D-01
                  2.542000D+00           4.908840D-03
                  8.787000D-01           2.864600D-04
                  1.077000D-01           2.645900D-05
                  3.999000D-02          -1.127080D-05
            S    12   1.00
                  4.739000D+04          -8.778390D-05
                  7.108000D+03          -6.747250D-04
                  1.618000D+03          -3.556030D-03
                  4.584000D+02          -1.421540D-02
                  1.493000D+02          -4.767480D-02
                  5.359000D+01          -1.148920D-01
                  2.070000D+01          -2.006760D-01
                  8.384000D+00          -3.412240D-02
                  2.542000D+00           5.704540D-01
                  8.787000D-01           5.423090D-01
                  1.077000D-01           2.181280D-02
                  3.999000D-02          -8.277000D-03
            S    12   1.00
                  4.739000D+04           1.696280D-05
                  7.108000D+03           1.298650D-04
                  1.618000D+03           6.888310D-04
                  4.584000D+02           2.735330D-03
                  1.493000D+02           9.312240D-03
                  5.359000D+01           2.232650D-02
                  2.070000D+01           4.111950D-02
                  8.384000D+00           5.456420D-03
                  2.542000D+00          -1.340120D-01
                  8.787000D-01          -2.561760D-01
                  1.077000D-01           6.058560D-01
                  3.999000D-02           5.094460D-01
            S    1   1.00
                  3.999000D-02           1.000000D+00
            S    1   1.00
                  1.420000D-02           1.000000D+00
            P    8   1.00
                  1.799000D+02           5.381610D-03
                  4.214000D+01           3.924180D-02
                  1.313000D+01           1.574450D-01
                  4.628000D+00           3.585350D-01
                  1.670000D+00           4.572260D-01
                  5.857000D-01           2.159180D-01
                  1.311000D-01           6.649480D-03
                  4.112000D-02          -1.253040D-04
            P    8   1.00
                  1.799000D+02          -8.659480D-04
                  4.214000D+01          -6.159780D-03
                  1.313000D+01          -2.615190D-02
                  4.628000D+00          -5.706470D-02
                  1.670000D+00          -8.739060D-02
                  5.857000D-01          -1.229900D-02
                  1.311000D-01           5.020850D-01
                  4.112000D-02           5.972450D-01
            P    1   1.00
                  4.112000D-02           1.000000D+00
            P    1   1.00
                  1.050000D-02           1.000000D+00
            D    1   1.00
                  1.932000D-01           1.0000000
            D    1   1.00
                  6.050000D-02           1.000000D+00
            ****
            -Al     0
            S    12   1.00
                  6.415000D+04           2.902500D-04
                  9.617000D+03           2.250640D-03
                  2.189000D+03           1.164590D-02
                  6.205000D+02           4.673770D-02
                  2.027000D+02           1.462990D-01
                  7.315000D+01           3.302830D-01
                  2.855000D+01           4.158610D-01
                  1.177000D+01           1.892530D-01
                  3.300000D+00           1.158890D-02
                  1.173000D+00          -1.283850D-03
                  1.752000D-01           4.258830D-04
                  6.473000D-02          -1.992800D-04
            S    12   1.00
                  6.415000D+04          -7.580480D-05
                  9.617000D+03          -5.817910D-04
                  2.189000D+03          -3.081130D-03
                  6.205000D+02          -1.231120D-02
                  2.027000D+02          -4.197810D-02
                  7.315000D+01          -1.033710D-01
                  2.855000D+01          -1.963080D-01
                  1.177000D+01          -8.300020D-02
                  3.300000D+00           5.410400D-01
                  1.173000D+00           5.787960D-01
                  1.752000D-01           2.881470D-02
                  6.473000D-02          -9.537950D-03
            S    12   1.00
                  6.415000D+04           1.750780D-05
                  9.617000D+03           1.342080D-04
                  2.189000D+03           7.124420D-04
                  6.205000D+02           2.843300D-03
                  2.027000D+02           9.768420D-03
                  7.315000D+01           2.418500D-02
                  2.855000D+01           4.749930D-02
                  1.177000D+01           2.036210D-02
                  3.300000D+00          -1.587880D-01
                  1.173000D+00          -3.116940D-01
                  1.752000D-01           6.201470D-01
                  6.473000D-02           5.209430D-01
            S    1   1.00
                  6.473000D-02           1.000000D+00
            S    1   1.00
                  0.0231000              1.0000000
            P    8   1.00
                  2.588000D+02           4.068470D-03
                  6.089000D+01           3.068150D-02
                  1.914000D+01           1.291490D-01
                  6.881000D+00           3.208310D-01
                  2.574000D+00           4.538150D-01
                  9.572000D-01           2.750660D-01
                  2.099000D-01           1.908070D-02
                  5.986000D-02          -3.128480D-03
            P    8   1.00
                  2.588000D+02          -7.480530D-04
                  6.089000D+01          -5.457960D-03
                  1.914000D+01          -2.453710D-02
                  6.881000D+00          -5.821380D-02
                  2.574000D+00          -9.837560D-02
                  9.572000D-01          -2.600640D-02
                  2.099000D-01           4.640200D-01
                  5.986000D-02           6.488700D-01
            P    1   1.00
                  5.986000D-02           1.000000D+00
            P    1   1.00
                  0.0153000              1.0000000
            D    1   1.00
                  1.890000D-01           1.0000000
            D    1   1.00
                  0.0535000              1.0000000
            ****
            -Si     0
            S    12   1.00
                  7.886000D+04           2.704430D-04
                  1.182000D+04           2.097170D-03
                  2.692000D+03           1.085060D-02
                  7.634000D+02           4.367540D-02
                  2.496000D+02           1.376530D-01
                  9.028000D+01           3.166440D-01
                  3.529000D+01           4.185810D-01
                  1.451000D+01           2.102120D-01
                  4.053000D+00           1.449520D-02
                  1.482000D+00          -2.035900D-03
                  2.517000D-01           6.241860D-04
                  9.243000D-02          -2.828720D-04
            S    12   1.00
                  7.886000D+04          -7.231770D-05
                  1.182000D+04          -5.551160D-04
                  2.692000D+03          -2.938050D-03
                  7.634000D+02          -1.176870D-02
                  2.496000D+02          -4.029070D-02
                  9.028000D+01          -1.006090D-01
                  3.529000D+01          -1.965280D-01
                  1.451000D+01          -1.023820D-01
                  4.053000D+00           5.271900D-01
                  1.482000D+00           5.932510D-01
                  2.517000D-01           3.326520D-02
                  9.243000D-02          -9.736620D-03
            S    12   1.00
                  7.886000D+04           1.851130D-05
                  1.182000D+04           1.422360D-04
                  2.692000D+03           7.521850D-04
                  7.634000D+02           3.022790D-03
                  2.496000D+02           1.036770D-02
                  9.028000D+01           2.625630D-02
                  3.529000D+01           5.239890D-02
                  1.451000D+01           2.909590D-02
                  4.053000D+00          -1.780030D-01
                  1.482000D+00          -3.468740D-01
                  2.517000D-01           6.230200D-01
                  9.243000D-02           5.377120D-01
            S    1   1.00
                  9.243000D-02           1.000000D+00
            S    1   1.00
                  0.0332000              1.0000000
            P    8   1.00
                  3.159000D+02           3.926560D-03
                  7.442000D+01           2.988110D-02
                  2.348000D+01           1.272120D-01
                  8.488000D+00           3.209430D-01
                  3.217000D+00           4.554290D-01
                  1.229000D+00           2.685630D-01
                  2.964000D-01           1.883360D-02
                  8.768000D-02          -2.624310D-03
            P    8   1.00
                  3.159000D+02          -8.583020D-04
                  7.442000D+01          -6.303280D-03
                  2.348000D+01          -2.882550D-02
                  8.488000D+00          -6.945600D-02
                  3.217000D+00          -1.194930D-01
                  1.229000D+00          -1.995810D-02
                  2.964000D-01           5.102680D-01
                  8.768000D-02           6.003820D-01
            P    1   1.00
                  8.768000D-02           1.000000D+00
            P    1   1.00
                  0.0250000              1.0000000
            D    1   1.00
                  2.750000D-01           1.0000000
            D    1   1.00
                  0.0823000              1.0000000
            ****
            -P     0
            S    12   1.00
                  9.484000D+04           2.555090D-04
                  1.422000D+04           1.981930D-03
                  3.236000D+03           1.027600D-02
                  9.171000D+02           4.148230D-02
                  2.995000D+02           1.319840D-01
                  1.081000D+02           3.086620D-01
                  4.218000D+01           4.206470D-01
                  1.728000D+01           2.228780D-01
                  4.858000D+00           1.640350D-02
                  1.818000D+00          -2.542550D-03
                  3.372000D-01           7.480500D-04
                  1.232000D-01          -3.309630D-04
            S    12   1.00
                  9.484000D+04          -6.969390D-05
                  1.422000D+04          -5.352660D-04
                  3.236000D+03          -2.837090D-03
                  9.171000D+02          -1.139830D-02
                  2.995000D+02          -3.929290D-02
                  1.081000D+02          -9.963640D-02
                  4.218000D+01          -1.979830D-01
                  1.728000D+01          -1.148600D-01
                  4.858000D+00           5.185950D-01
                  1.818000D+00           6.018470D-01
                  3.372000D-01           3.686120D-02
                  1.232000D-01          -9.707590D-03
            S    12   1.00
                  9.484000D+04           1.911990D-05
                  1.422000D+04           1.472230D-04
                  3.236000D+03           7.779120D-04
                  9.171000D+02           3.145460D-03
                  2.995000D+02           1.082000D-02
                  1.081000D+02           2.799570D-02
                  4.218000D+01           5.639780D-02
                  1.728000D+01           3.581900D-02
                  4.858000D+00          -1.933870D-01
                  1.818000D+00          -3.720970D-01
                  3.372000D-01           6.242460D-01
                  1.232000D-01           5.517210D-01
            S    1   1.00
                  1.232000D-01           1.000000D+00
            S    1   1.00
                  0.0417000              1.0000000
            P    8   1.00
                  3.705000D+02           3.950050D-03
                  8.733000D+01           3.024920D-02
                  2.759000D+01           1.295540D-01
                  1.000000D+01           3.275940D-01
                  3.825000D+00           4.569920D-01
                  1.494000D+00           2.530860D-01
                  3.921000D-01           1.687980D-02
                  1.186000D-01          -2.070930D-03
            P    8   1.00
                  3.705000D+02          -9.598320D-04
                  8.733000D+01          -7.111770D-03
                  2.759000D+01          -3.271220D-02
                  1.000000D+01          -7.957840D-02
                  3.825000D+00          -1.350160D-01
                  1.494000D+00          -9.105850D-03
                  3.921000D-01           5.378020D-01
                  1.186000D-01           5.690660D-01
            P    1   1.00
                  1.186000D-01           1.000000D+00
            P    1   1.00
                  0.0343000              1.0000000
            D    1   1.00
                  3.730000D-01           1.0000000
            D    1   1.00
                  0.1130000              1.0000000
            ****
            -S     0
            S    12   1.00
                  1.108000D+05           2.476350D-04
                  1.661000D+04           1.920260D-03
                  3.781000D+03           9.961920D-03
                  1.071000D+03           4.029750D-02
                  3.498000D+02           1.286040D-01
                  1.263000D+02           3.034800D-01
                  4.926000D+01           4.214320D-01
                  2.016000D+01           2.307810D-01
                  5.720000D+00           1.789710D-02
                  2.182000D+00          -2.975160D-03
                  4.327000D-01           8.495220D-04
                  1.570000D-01          -3.679360D-04
            S    12   1.00
                  1.108000D+05          -6.870390D-05
                  1.661000D+04          -5.276810D-04
                  3.781000D+03          -2.796710D-03
                  1.071000D+03          -1.126510D-02
                  3.498000D+02          -3.888340D-02
                  1.263000D+02          -9.950250D-02
                  4.926000D+01          -1.997400D-01
                  2.016000D+01          -1.233600D-01
                  5.720000D+00           5.131940D-01
                  2.182000D+00           6.071200D-01
                  4.327000D-01           3.967530D-02
                  1.570000D-01          -9.468640D-03
            S    12   1.00
                  1.108000D+05           1.990770D-05
                  1.661000D+04           1.534830D-04
                  3.781000D+03           8.095030D-04
                  1.071000D+03           3.289740D-03
                  3.498000D+02           1.129670D-02
                  1.263000D+02           2.963850D-02
                  4.926000D+01           5.998510D-02
                  2.016000D+01           4.132480D-02
                  5.720000D+00          -2.074740D-01
                  2.182000D+00          -3.928890D-01
                  4.327000D-01           6.328400D-01
                  1.570000D-01           5.569240D-01
            S    1   1.00
                  1.570000D-01           1.000000D+00
            S    1   1.00
                  0.0507000              1.0000000
            P    8   1.00
                  3.997000D+02           4.475410D-03
                  9.419000D+01           3.417080D-02
                  2.975000D+01           1.442500D-01
                  1.077000D+01           3.539280D-01
                  4.119000D+00           4.590850D-01
                  1.625000D+00           2.063830D-01
                  4.726000D-01           1.021410D-02
                  1.407000D-01          -6.031220D-05
            P    8   1.00
                  3.997000D+02          -1.162510D-03
                  9.419000D+01          -8.656640D-03
                  2.975000D+01          -3.908860D-02
                  1.077000D+01          -9.346250D-02
                  4.119000D+00          -1.479940D-01
                  1.625000D+00           3.019040D-02
                  4.726000D-01           5.615730D-01
                  1.407000D-01           5.347760D-01
            P    1   1.00
                  1.407000D-01           1.000000D+00
            P    1   1.00
                  0.0399000              1.0000000
            D    1   1.00
                  4.790000D-01           1.0000000
            D    1   1.00
                  0.1520000              1.0000000
            ****
            -Cl     0
            S    12   1.00
                  1.279000D+05           2.411530D-04
                  1.917000D+04           1.870950D-03
                  4.363000D+03           9.708270D-03
                  1.236000D+03           3.931530D-02
                  4.036000D+02           1.259320D-01
                  1.457000D+02           2.993410D-01
                  5.681000D+01           4.218860D-01
                  2.323000D+01           2.372010D-01
                  6.644000D+00           1.915310D-02
                  2.575000D+00          -3.347920D-03
                  5.371000D-01           9.298830D-04
                  1.938000D-01          -3.963790D-04
            S    12   1.00
                  1.279000D+05          -6.789220D-05
                  1.917000D+04          -5.218360D-04
                  4.363000D+03          -2.765130D-03
                  1.236000D+03          -1.115370D-02
                  4.036000D+02          -3.859190D-02
                  1.457000D+02          -9.948480D-02
                  5.681000D+01          -2.013920D-01
                  2.323000D+01          -1.303130D-01
                  6.644000D+00           5.094430D-01
                  2.575000D+00           6.107250D-01
                  5.371000D-01           4.215490D-02
                  1.938000D-01          -9.234270D-03
            S    12   1.00
                  1.279000D+05           2.049860D-05
                  1.917000D+04           1.582980D-04
                  4.363000D+03           8.336390D-04
                  1.236000D+03           3.398800D-03
                  4.036000D+02           1.167380D-02
                  1.457000D+02           3.096220D-02
                  5.681000D+01           6.295330D-02
                  2.323000D+01           4.602570D-02
                  6.644000D+00          -2.193120D-01
                  2.575000D+00          -4.087730D-01
                  5.371000D-01           6.384650D-01
                  1.938000D-01           5.623620D-01
            S    1   1.00
                  1.938000D-01           1.000000D+00
            S    1   1.00
                  0.0608000              1.0000000
            P    8   1.00
                  4.176000D+02           5.259820D-03
                  9.833000D+01           3.983320D-02
                  3.104000D+01           1.646550D-01
                  1.119000D+01           3.873220D-01
                  4.249000D+00           4.570720D-01
                  1.624000D+00           1.516360D-01
                  5.322000D-01           1.816150D-03
                  1.620000D-01           1.882960D-03
            P    8   1.00
                  4.176000D+02          -1.435700D-03
                  9.833000D+01          -1.077960D-02
                  3.104000D+01          -4.700750D-02
                  1.119000D+01          -1.110300D-01
                  4.249000D+00          -1.532750D-01
                  1.624000D+00           8.946090D-02
                  5.322000D-01           5.794440D-01
                  1.620000D-01           4.832720D-01
            P    1   1.00
                  1.620000D-01           1.000000D+00
            P    1   1.00
                  0.0466000              1.0000000
            D    1   1.00
                  6.000000D-01           1.0000000
            D    1   1.00
                  0.1960000              1.0000000
            ****
            -Ar     0
            S    12   1.00
                  1.457000D+05           2.367000D-04
                  2.184000D+04           1.835230D-03
                  4.972000D+03           9.528600D-03
                  1.408000D+03           3.862830D-02
                  4.597000D+02           1.240810D-01
                  1.659000D+02           2.964710D-01
                  6.469000D+01           4.220680D-01
                  2.644000D+01           2.417110D-01
                  7.628000D+00           2.005090D-02
                  2.996000D+00          -3.610000D-03
                  6.504000D-01           9.756070D-04
                  2.337000D-01          -4.113160D-04
            S    12   1.00
                  1.457000D+05          -6.749100D-05
                  2.184000D+04          -5.185220D-04
                  4.972000D+03          -2.748250D-03
                  1.408000D+03          -1.110070D-02
                  4.597000D+02          -3.848200D-02
                  1.659000D+02          -9.975990D-02
                  6.469000D+01          -2.030880D-01
                  2.644000D+01          -1.356080D-01
                  7.628000D+00           5.071950D-01
                  2.996000D+00           6.128980D-01
                  6.504000D-01           4.429680D-02
                  2.337000D-01          -8.992780D-03
            S    12   1.00
                  1.457000D+05           2.104570D-05
                  2.184000D+04           1.625650D-04
                  4.972000D+03           8.554630D-04
                  1.408000D+03           3.497450D-03
                  4.597000D+02           1.201560D-02
                  1.659000D+02           3.213680D-02
                  6.469000D+01           6.552790D-02
                  2.644000D+01           4.993700D-02
                  7.628000D+00          -2.297690D-01
                  2.996000D+00          -4.210060D-01
                  6.504000D-01           6.423310D-01
                  2.337000D-01           5.675400D-01
            S    1   1.00
                  2.337000D-01           1.000000D+00
            S    1   1.00
                  0.0709000              1.0000000
            P    8   1.00
                  4.537000D+02           5.705550D-03
                  1.068000D+02           4.304600D-02
                  3.373000D+01           1.765910D-01
                  1.213000D+01           4.068630D-01
                  4.594000D+00           4.525490D-01
                  1.678000D+00           1.228010D-01
                  5.909000D-01          -4.459960D-03
                  1.852000D-01           2.052250D-03
            P    8   1.00
                  4.537000D+02          -1.606550D-03
                  1.068000D+02          -1.217140D-02
                  3.373000D+01          -5.207890D-02
                  1.213000D+01          -1.237370D-01
                  4.594000D+00          -1.516190D-01
                  1.678000D+00           1.424250D-01
                  5.909000D-01           5.845010D-01
                  1.852000D-01           4.375400D-01
            P    1   1.00
                  1.852000D-01           1.000000D+00
            P    1   1.00
                  0.0533000              1.0000000
            D    1   1.00
                  7.380000D-01           1.0000000
            D    1   1.00
                  0.2400000              1.0000000
            ****
            -Sc     0
            S    20   1.00
                  2.715278D+06           8.147221D-06
                  4.065984D+05           6.334788D-05
                  9.253004D+04           3.330384D-04
                  2.620792D+04           1.404055D-03
                  8.549429D+03           5.081725D-03
                  3.085975D+03           1.626926D-02
                  1.203172D+03           4.624577D-02
                  4.984869D+02           1.137223D-01
                  2.167360D+02           2.257636D-01
                  9.787476D+01           3.106700D-01
                  4.520433D+01           2.191906D-01
                  2.021187D+01           7.215879D-02
                  9.574751D+00           1.187030D-01
                  4.540346D+00           1.220532D-01
                  1.995687D+00           2.136795D-02
                  9.422150D-01          -5.357246D-04
                  4.178450D-01           2.435774D-04
                  9.576100D-02          -8.796617D-05
                  5.135100D-02           7.878246D-05
                  2.387800D-02          -1.637155D-05
            S    20   1.00
                  2.715278D+06          -4.722109D-06
                  4.065984D+05          -3.671829D-05
                  9.253004D+04          -1.930883D-04
                  2.620792D+04          -8.146870D-04
                  8.549429D+03          -2.955526D-03
                  3.085975D+03          -9.520035D-03
                  1.203172D+03          -2.746858D-02
                  4.984869D+02          -6.991528D-02
                  2.167360D+02          -1.499251D-01
                  9.787476D+01          -2.459153D-01
                  4.520433D+01          -2.401293D-01
                  2.021187D+01           3.567987D-02
                  9.574751D+00           4.915023D-01
                  4.540346D+00           4.911381D-01
                  1.995687D+00           9.120633D-02
                  9.422150D-01          -5.356723D-03
                  4.178450D-01           8.812836D-04
                  9.576100D-02          -7.605536D-04
                  5.135100D-02           6.340116D-04
                  2.387800D-02          -1.556163D-04
            S    20   1.00
                  2.715278D+06           9.139905D-07
                  4.065984D+05           7.108513D-06
                  9.253004D+04           3.738126D-05
                  2.620792D+04           1.578828D-04
                  8.549429D+03           5.737686D-04
                  3.085975D+03           1.859244D-03
                  1.203172D+03           5.433182D-03
                  4.984869D+02           1.425387D-02
                  2.167360D+02           3.246144D-02
                  9.787476D+01           6.003454D-02
                  4.520433D+01           6.916105D-02
                  2.021187D+01          -2.113084D-02
                  9.574751D+00          -2.666832D-01
                  4.540346D+00          -4.367591D-01
                  1.995687D+00           6.498243D-02
                  9.422150D-01           7.009599D-01
                  4.178450D-01           4.515562D-01
                  9.576100D-02           3.011910D-02
                  5.135100D-02          -1.329480D-02
                  2.387800D-02           4.633679D-03
            S    20   1.00
                  2.715278D+06          -2.201951D-07
                  4.065984D+05          -1.711419D-06
                  9.253004D+04          -9.008469D-06
                  2.620792D+04          -3.799997D-05
                  8.549429D+03          -1.383227D-04
                  3.085975D+03          -4.473692D-04
                  1.203172D+03          -1.310691D-03
                  4.984869D+02          -3.429860D-03
                  2.167360D+02          -7.847579D-03
                  9.787476D+01          -1.447189D-02
                  4.520433D+01          -1.690669D-02
                  2.021187D+01           5.396115D-03
                  9.574751D+00           6.671062D-02
                  4.540346D+00           1.178356D-01
                  1.995687D+00          -2.738134D-02
                  9.422150D-01          -2.260149D-01
                  4.178450D-01          -3.073539D-01
                  9.576100D-02           2.544054D-01
                  5.135100D-02           5.981590D-01
                  2.387800D-02           3.115202D-01
            S    20   1.00
                  2.715278D+06          -3.757238D-07
                  4.065984D+05          -2.981907D-06
                  9.253004D+04          -1.522586D-05
                  2.620792D+04          -6.684686D-05
                  8.549429D+03          -2.313129D-04
                  3.085975D+03          -7.959729D-04
                  1.203172D+03          -2.161961D-03
                  4.984869D+02          -6.206459D-03
                  2.167360D+02          -1.261905D-02
                  9.787476D+01          -2.739459D-02
                  4.520433D+01          -2.336516D-02
                  2.021187D+01          -5.734627D-03
                  9.574751D+00           1.536025D-01
                  4.540346D+00           1.447100D-01
                  1.995687D+00           9.359699D-02
                  9.422150D-01          -8.687730D-01
                  4.178450D-01           2.114597D-02
                  9.576100D-02           2.275498D+00
                  5.135100D-02          -1.190770D+00
                  2.387800D-02          -7.674257D-01
            S    1   1.00
                  2.387800D-02           1.000000D+00
            S    1   1.00
                  1.110000D-02           1.000000D+00
            P    16   1.00
                  1.059219D+04           4.500000D-05
                  2.507533D+03           4.010000D-04
                  8.144571D+02           2.302000D-03
                  3.115195D+02           1.003700D-02
                  1.319617D+02           3.495400D-02
                  5.998718D+01           9.790900D-02
                  2.866250D+01           2.106800D-01
                  1.410851D+01           3.300930D-01
                  7.103706D+00           3.310270D-01
                  3.609200D+00           1.579600D-01
                  1.776070D+00           2.209900D-02
                  8.547600D-01          -1.605000D-03
                  4.022390D-01          -1.326000D-03
                  1.546650D-01          -2.800000D-04
                  6.494500D-02           3.400000D-05
                  2.635900D-02          -1.300000D-05
            P    16   1.00
                  1.059219D+04          -1.500000D-05
                  2.507533D+03          -1.310000D-04
                  8.144571D+02          -7.570000D-04
                  3.115195D+02          -3.318000D-03
                  1.319617D+02          -1.170600D-02
                  5.998718D+01          -3.360400D-02
                  2.866250D+01          -7.487900D-02
                  1.410851D+01          -1.225480D-01
                  7.103706D+00          -1.302760D-01
                  3.609200D+00           1.459600D-02
                  1.776070D+00           3.091840D-01
                  8.547600D-01           4.629980D-01
                  4.022390D-01           3.049570D-01
                  1.546650D-01           5.087800D-02
                  6.494500D-02          -4.493000D-03
                  2.635900D-02           1.832000D-03
            P    16   1.00
                  1.059219D+04          -4.000000D-06
                  2.507533D+03          -3.200000D-05
                  8.144571D+02          -1.850000D-04
                  3.115195D+02          -8.080000D-04
                  1.319617D+02          -2.870000D-03
                  5.998718D+01          -8.207000D-03
                  2.866250D+01          -1.847300D-02
                  1.410851D+01          -3.010100D-02
                  7.103706D+00          -3.294300D-02
                  3.609200D+00           7.958000D-03
                  1.776070D+00           8.799300D-02
                  8.547600D-01           1.523770D-01
                  4.022390D-01           9.717000D-02
                  1.546650D-01          -2.569380D-01
                  6.494500D-02          -5.878150D-01
                  2.635900D-02          -3.054210D-01
            P    16   1.00
                  1.059219D+04           4.000000D-06
                  2.507533D+03           3.900000D-05
                  8.144571D+02           2.210000D-04
                  3.115195D+02           9.840000D-04
                  1.319617D+02           3.423000D-03
                  5.998718D+01           9.993000D-03
                  2.866250D+01           2.191600D-02
                  1.410851D+01           3.700800D-02
                  7.103706D+00           3.779400D-02
                  3.609200D+00          -4.379000D-03
                  1.776070D+00          -1.101640D-01
                  8.547600D-01          -1.610170D-01
                  4.022390D-01          -1.824820D-01
                  1.546650D-01           3.886110D-01
                  6.494500D-02           6.911000D-01
                  2.635900D-02           7.960400D-02
            P    1   1.00
                  2.635900D-02           1.000000D+00
            P    1   1.00
                  1.066000D-02           1.000000D+00
            D    8   1.00
                  5.051380D+01           4.266000D-03
                  1.474050D+01           2.770800D-02
                  5.195000D+00           1.000010D-01
                  2.028460D+00           2.315810D-01
                  8.040860D-01           3.460330D-01
                  3.076890D-01           3.733740D-01
                  1.113920D-01           2.642880D-01
                  3.735200D-02           6.366700D-02
            D    8   1.00
                  5.051380D+01          -4.389000D-03
                  1.474050D+01          -2.836300D-02
                  5.195000D+00          -1.051370D-01
                  2.028460D+00          -2.348540D-01
                  8.040860D-01          -3.246090D-01
                  3.076890D-01          -6.428900D-02
                  1.113920D-01           6.017490D-01
                  3.735200D-02           3.903000D-01
            D    1   1.00
                  3.735200D-02           1.000000D+00
            D    1   1.00
                  1.244000D-02           1.000000D+00
            F    2   1.00
                  7.126000D-01           3.617450D-01
                  1.636000D-01           8.218680D-01
            F    1   1.00
                  4.063000D-02           1.000000D+00
            ****
            -Ti     0
            S    20   1.00
                  3.014643D+06           8.060782D-06
                  4.514329D+05           6.267518D-05
                  1.027338D+05           3.295006D-04
                  2.909817D+04           1.389203D-03
                  9.492330D+03           5.028469D-03
                  3.426346D+03           1.610419D-02
                  1.335896D+03           4.581232D-02
                  5.535026D+02           1.128613D-01
                  2.406925D+02           2.248193D-01
                  1.087293D+02           3.114571D-01
                  5.026457D+01           2.224995D-01
                  2.258004D+01           7.293128D-02
                  1.071432D+01           1.160683D-01
                  5.093546D+00           1.194774D-01
                  2.244183D+00           2.097868D-02
                  1.059570D+00          -5.091715D-04
                  4.688490D-01           2.217859D-04
                  1.061430D-01          -7.636896D-05
                  5.526200D-02           7.719539D-05
                  2.546500D-02          -1.149056D-05
            S    20   1.00
                  3.014643D+06          -4.630486D-06
                  4.514329D+05          -3.600451D-05
                  1.027338D+05          -1.893420D-04
                  2.909817D+04          -7.988781D-04
                  9.492330D+03          -2.898698D-03
                  3.426346D+03          -9.339701D-03
                  1.335896D+03          -2.697464D-02
                  5.535026D+02          -6.878913D-02
                  2.406925D+02          -1.481037D-01
                  1.087293D+02          -2.445253D-01
                  5.026457D+01          -2.419916D-01
                  2.258004D+01           3.183790D-02
                  1.071432D+01           4.932686D-01
                  5.093546D+00           4.939655D-01
                  2.244183D+00           9.196313D-02
                  1.059570D+00          -5.316992D-03
                  4.688490D-01           8.085624D-04
                  1.061430D-01          -6.918459D-04
                  5.526200D-02           6.086512D-04
                  2.546500D-02          -1.313842D-04
            S    20   1.00
                  3.014643D+06           9.230559D-07
                  4.514329D+05           7.178974D-06
                  1.027338D+05           3.775134D-05
                  2.909817D+04           1.594532D-04
                  9.492330D+03           5.795150D-04
                  3.426346D+03           1.878414D-03
                  1.335896D+03           5.492747D-03
                  5.535026D+02           1.443297D-02
                  2.406925D+02           3.296408D-02
                  1.087293D+02           6.125493D-02
                  5.026457D+01           7.134113D-02
                  2.258004D+01          -1.973150D-02
                  1.071432D+01          -2.741869D-01
                  5.093546D+00          -4.440977D-01
                  2.244183D+00           7.776084D-02
                  1.059570D+00           7.068444D-01
                  4.688490D-01           4.413892D-01
                  1.061430D-01           2.799769D-02
                  5.526200D-02          -1.210790D-02
                  2.546500D-02           4.324762D-03
            S    20   1.00
                  3.014643D+06          -2.180323D-07
                  4.514329D+05          -1.694860D-06
                  1.027338D+05          -8.919208D-06
                  2.909817D+04          -3.763633D-05
                  9.492330D+03          -1.369575D-04
                  3.426346D+03          -4.432894D-04
                  1.335896D+03          -1.298868D-03
                  5.535026D+02          -3.406752D-03
                  2.406925D+02          -7.810829D-03
                  1.087293D+02          -1.449245D-02
                  5.026457D+01          -1.708136D-02
                  2.258004D+01           4.897666D-03
                  1.071432D+01           6.753108D-02
                  5.093546D+00           1.173318D-01
                  2.244183D+00          -2.985025D-02
                  1.059570D+00          -2.277634D-01
                  4.688490D-01          -2.928115D-01
                  1.061430D-01           2.665300D-01
                  5.526200D-02           5.912406D-01
                  2.546500D-02           3.037229D-01
            S    20   1.00
                  3.014643D+06          -3.975126D-07
                  4.514329D+05          -3.161080D-06
                  1.027338D+05          -1.609375D-05
                  2.909817D+04          -7.092947D-05
                  9.492330D+03          -2.442710D-04
                  3.426346D+03          -8.457892D-04
                  1.335896D+03          -2.282208D-03
                  5.535026D+02          -6.619873D-03
                  2.406925D+02          -1.335024D-02
                  1.087293D+02          -2.955830D-02
                  5.026457D+01          -2.477039D-02
                  2.258004D+01          -8.414624D-03
                  1.071432D+01           1.693855D-01
                  5.093546D+00           1.500787D-01
                  2.244183D+00           9.787777D-02
                  1.059570D+00          -9.653608D-01
                  4.688490D-01           1.489721D-01
                  1.061430D-01           2.191179D+00
                  5.526200D-02          -1.243325D+00
                  2.546500D-02          -6.711916D-01
            S    1   1.00
                  2.546500D-02           1.000000D+00
            S    1   1.00
                  1.173000D-02           1.000000D+00
            P    16   1.00
                  1.191203D+04           4.400000D-05
                  2.819947D+03           3.910000D-04
                  9.159479D+02           2.248000D-03
                  3.503842D+02           9.823000D-03
                  1.484825D+02           3.433800D-02
                  6.753944D+01           9.666600D-02
                  3.230332D+01           2.094170D-01
                  1.592786D+01           3.301890D-01
                  8.038035D+00           3.319360D-01
                  4.093916D+00           1.584880D-01
                  2.022390D+00           2.231000D-02
                  9.761020D-01          -1.566000D-03
                  4.595950D-01          -1.324000D-03
                  1.771520D-01          -2.710000D-04
                  7.351700D-02           3.200000D-05
                  2.940100D-02          -1.200000D-05
            P    16   1.00
                  1.191203D+04          -1.500000D-05
                  2.819947D+03          -1.310000D-04
                  9.159479D+02          -7.550000D-04
                  3.503842D+02          -3.319000D-03
                  1.484825D+02          -1.175000D-02
                  6.753944D+01          -3.392200D-02
                  3.230332D+01          -7.616400D-02
                  1.592786D+01          -1.257020D-01
                  8.038035D+00          -1.330980D-01
                  4.093916D+00           1.740600D-02
                  2.022390D+00           3.151650D-01
                  9.761020D-01           4.618140D-01
                  4.595950D-01           2.998560D-01
                  1.771520D-01           5.000000D-02
                  7.351700D-02          -4.230000D-03
                  2.940100D-02           1.725000D-03
            P    16   1.00
                  1.191203D+04           4.000000D-06
                  2.819947D+03           3.100000D-05
                  9.159479D+02           1.820000D-04
                  3.503842D+02           7.950000D-04
                  1.484825D+02           2.833000D-03
                  6.753944D+01           8.154000D-03
                  3.230332D+01           1.847200D-02
                  1.592786D+01           3.040000D-02
                  8.038035D+00           3.304700D-02
                  4.093916D+00          -8.251000D-03
                  2.022390D+00          -8.855400D-02
                  9.761020D-01          -1.496120D-01
                  4.595950D-01          -9.422700D-02
                  1.771520D-01           2.508460D-01
                  7.351700D-02           5.866430D-01
                  2.940100D-02           3.135350D-01
            P    16   1.00
                  1.191203D+04           4.000000D-06
                  2.819947D+03           3.900000D-05
                  9.159479D+02           2.230000D-04
                  3.503842D+02           9.920000D-04
                  1.484825D+02           3.476000D-03
                  6.753944D+01           1.017200D-02
                  3.230332D+01           2.257600D-02
                  1.592786D+01           3.823800D-02
                  8.038035D+00           3.933700D-02
                  4.093916D+00          -6.106000D-03
                  2.022390D+00          -1.129620D-01
                  9.761020D-01          -1.681140D-01
                  4.595950D-01          -1.659320D-01
                  1.771520D-01           3.914030D-01
                  7.351700D-02           6.818400D-01
                  2.940100D-02           8.403100D-02
            P    1   1.00
                  2.940100D-02           1.000000D+00
            P    1   1.00
                  1.176000D-02           1.000000D+00
            D    8   1.00
                  6.401300D+01           3.887000D-03
                  1.881790D+01           2.639900D-02
                  6.728700D+00           9.751100D-02
                  2.664130D+00           2.328480D-01
                  1.078680D+00           3.531520D-01
                  4.232090D-01           3.721860D-01
                  1.559990D-01           2.476720D-01
                  5.188400D-02           5.823600D-02
            D    8   1.00
                  6.401300D+01          -3.970000D-03
                  1.881790D+01          -2.687300D-02
                  6.728700D+00          -1.022750D-01
                  2.664130D+00          -2.377280D-01
                  1.078680D+00          -3.121140D-01
                  4.232090D-01          -4.237800D-02
                  1.559990D-01           5.886580D-01
                  5.188400D-02           4.103020D-01
            D    1   1.00
                  5.188400D-02           1.000000D+00
            D    1   1.00
                  1.726000D-02           1.000000D+00
            F    2   1.00
                  1.227400D+00           3.581580D-01
                  2.788000D-01           8.257940D-01
            F    1   1.00
                  8.266000D-02           1.000000D+00
            ****
            -V     0
            S    20   1.00
                  3.321857D+06           8.039999D-06
                  4.974356D+05           6.251402D-05
                  1.132027D+05           3.286553D-04
                  3.206333D+04           1.385697D-03
                  1.045962D+04           5.016217D-03
                  3.775506D+03           1.606931D-02
                  1.472040D+03           4.574242D-02
                  6.099331D+02           1.128544D-01
                  2.652634D+02           2.254344D-01
                  1.198607D+02           3.140461D-01
                  5.544891D+01           2.267819D-01
                  2.498372D+01           7.334069D-02
                  1.188056D+01           1.102474D-01
                  5.660311D+00           1.131358D-01
                  2.495703D+00           1.971295D-02
                  1.177866D+00          -4.719088D-04
                  5.200440D-01           1.861606D-04
                  1.159650D-01          -6.208598D-05
                  5.893800D-02           7.295314D-05
                  2.694600D-02          -6.362062D-06
            S    20   1.00
                  3.321857D+06          -4.503003D-06
                  4.974356D+05          -3.501295D-05
                  1.132027D+05          -1.841339D-04
                  3.206333D+04          -7.769216D-04
                  1.045962D+04          -2.819505D-03
                  3.775506D+03          -9.087486D-03
                  1.472040D+03          -2.627134D-02
                  6.099331D+02          -6.712726D-02
                  2.652634D+02          -1.451130D-01
                  1.198607D+02          -2.412483D-01
                  5.544891D+01          -2.416314D-01
                  2.498372D+01           3.067362D-02
                  1.188056D+01           4.970415D-01
                  5.660311D+00           4.958875D-01
                  2.495703D+00           9.181868D-02
                  1.177866D+00          -5.392514D-03
                  5.200440D-01           7.102380D-04
                  1.159650D-01          -6.363128D-04
                  5.893800D-02           5.979932D-04
                  2.694600D-02          -1.100879D-04
            S    20   1.00
                  3.321857D+06           9.320648D-07
                  4.974356D+05           7.249306D-06
                  1.132027D+05           3.811967D-05
                  3.206333D+04           1.610238D-04
                  1.045962D+04           5.852210D-04
                  3.775506D+03           1.897502D-03
                  1.472040D+03           5.550909D-03
                  6.099331D+02           1.460584D-02
                  2.652634D+02           3.342974D-02
                  1.198607D+02           6.235722D-02
                  5.544891D+01           7.312435D-02
                  2.498372D+01          -1.911472D-02
                  1.188056D+01          -2.817249D-01
                  5.660311D+00          -4.488151D-01
                  2.495703D+00           9.202696D-02
                  1.177866D+00           7.110117D-01
                  5.200440D-01           4.309274D-01
                  1.159650D-01           2.604589D-02
                  5.893800D-02          -1.101049D-02
                  2.694600D-02           4.106300D-03
            S    20   1.00
                  3.321857D+06          -2.158944D-07
                  4.974356D+05          -1.678519D-06
                  1.132027D+05          -8.831213D-06
                  3.206333D+04          -3.727769D-05
                  1.045962D+04          -1.356099D-04
                  3.775506D+03          -4.392351D-04
                  1.472040D+03          -1.286948D-03
                  6.099331D+02          -3.382149D-03
                  2.652634D+02          -7.765646D-03
                  1.198607D+02          -1.447985D-02
                  5.544891D+01          -1.715502D-02
                  2.498372D+01           4.610101D-03
                  1.188056D+01           6.827831D-02
                  5.660311D+00           1.161368D-01
                  2.495703D+00          -3.277049D-02
                  1.177866D+00          -2.280000D-01
                  5.200440D-01          -2.793991D-01
                  1.159650D-01           2.771165D-01
                  5.893800D-02           5.852999D-01
                  2.694600D-02           2.963946D-01
            S    20   1.00
                  3.321857D+06          -4.093416D-07
                  4.974356D+05          -3.258956D-06
                  1.132027D+05          -1.656390D-05
                  3.206333D+04          -7.316689D-05
                  1.045962D+04          -2.512784D-04
                  3.775506D+03          -8.732657D-04
                  1.472040D+03          -2.347654D-03
                  6.099331D+02          -6.853150D-03
                  2.652634D+02          -1.376420D-02
                  1.198607D+02          -3.084679D-02
                  5.544891D+01          -2.562208D-02
                  2.498372D+01          -1.005123D-02
                  1.188056D+01           1.795330D-01
                  5.660311D+00           1.522400D-01
                  2.495703D+00           9.483887D-02
                  1.177866D+00          -1.014876D+00
                  5.200440D-01           2.308810D-01
                  1.159650D-01           2.113321D+00
                  5.893800D-02          -1.253048D+00
                  2.694600D-02          -6.139502D-01
            S    1   1.00
                  2.694600D-02           1.000000D+00
            S    1   1.00
                  1.232000D-02           1.000000D+00
            P    16   1.00
                  1.327320D+04           4.300000D-05
                  3.142126D+03           3.840000D-04
                  1.020588D+03           2.210000D-03
                  3.904407D+02           9.678000D-03
                  1.655043D+02           3.393600D-02
                  7.532006D+01           9.591700D-02
                  3.605503D+01           2.088530D-01
                  1.780436D+01           3.306600D-01
                  9.002929D+00           3.323120D-01
                  4.594544D+00           1.581880D-01
                  2.276760D+00           2.225200D-02
                  1.101178D+00          -1.565000D-03
                  5.186380D-01          -1.353000D-03
                  2.005650D-01          -2.650000D-04
                  8.129100D-02           2.900000D-05
                  3.179500D-02          -1.100000D-05
            P    16   1.00
                  1.327320D+04          -1.500000D-05
                  3.142126D+03          -1.310000D-04
                  1.020588D+03          -7.550000D-04
                  3.904407D+02          -3.325000D-03
                  1.655043D+02          -1.181100D-02
                  7.532006D+01          -3.425600D-02
                  3.605503D+01          -7.736300D-02
                  1.780436D+01          -1.284560D-01
                  9.002929D+00          -1.350780D-01
                  4.594544D+00           2.083800D-02
                  2.276760D+00           3.204990D-01
                  1.101178D+00           4.602600D-01
                  5.186380D-01           2.953460D-01
                  2.005650D-01           4.904600D-02
                  8.129100D-02          -3.824000D-03
                  3.179500D-02           1.585000D-03
            P    16   1.00
                  1.327320D+04           4.000000D-06
                  3.142126D+03           3.200000D-05
                  1.020588D+03           1.830000D-04
                  3.904407D+02           8.020000D-04
                  1.655043D+02           2.862000D-03
                  7.532006D+01           8.287000D-03
                  3.605503D+01           1.887000D-02
                  1.780436D+01           3.130700D-02
                  9.002929D+00           3.366000D-02
                  4.594544D+00          -9.479000D-03
                  2.276760D+00          -9.231300D-02
                  1.101178D+00          -1.489890D-01
                  5.186380D-01          -8.364400D-02
                  2.005650D-01           2.493390D-01
                  8.129100D-02           5.805150D-01
                  3.179500D-02           3.223800D-01
            P    16   1.00
                  1.327320D+04           4.000000D-06
                  3.142126D+03           3.900000D-05
                  1.020588D+03           2.230000D-04
                  3.904407D+02           9.960000D-04
                  1.655043D+02           3.498000D-03
                  7.532006D+01           1.029600D-02
                  3.605503D+01           2.296200D-02
                  1.780436D+01           3.920800D-02
                  9.002929D+00           3.994300D-02
                  4.594544D+00          -7.121000D-03
                  2.276760D+00          -1.162250D-01
                  1.101178D+00          -1.694960D-01
                  5.186380D-01          -1.553740D-01
                  2.005650D-01           3.950220D-01
                  8.129100D-02           6.789080D-01
                  3.179500D-02           8.312200D-02
            P    1   1.00
                  3.179500D-02           1.000000D+00
            P    1   1.00
                  1.244000D-02           1.000000D+00
            D    8   1.00
                  7.761150D+01           3.595000D-03
                  2.291590D+01           2.521000D-02
                  8.279540D+00           9.478600D-02
                  3.309930D+00           2.303630D-01
                  1.358630D+00           3.528940D-01
                  5.413500D-01           3.704140D-01
                  2.023560D-01           2.457180D-01
                  6.756800D-02           6.099300D-02
            D    8   1.00
                  7.761150D+01          -3.818000D-03
                  2.291590D+01          -2.671700D-02
                  8.279540D+00          -1.036900D-01
                  3.309930D+00          -2.476890D-01
                  1.358630D+00          -3.115230D-01
                  5.413500D-01          -2.282700D-02
                  2.023560D-01           5.697260D-01
                  6.756800D-02           4.194930D-01
            D    1   1.00
                  6.756800D-02           1.000000D+00
            D    1   1.00
                  2.256000D-02           1.000000D+00
            F    2   1.00
                  1.748800D+00           3.900680D-01
                  4.057000D-01           8.008410D-01
            F    1   1.00
                  1.311200D-01           1.000000D+00
            ****
            -Cr     0
            S    20   1.00
                  6.177194D+06           4.128667D-06
                  9.249295D+05           3.210767D-05
                  2.104865D+05           1.688416D-04
                  5.962005D+04           7.128520D-04
                  1.945076D+04           2.589325D-03
                  7.022056D+03           8.377350D-03
                  2.738763D+03           2.441725D-02
                  1.135814D+03           6.365135D-02
                  4.950923D+02           1.427618D-01
                  2.247487D+02           2.541275D-01
                  1.053836D+02           3.009512D-01
                  5.019359D+01           1.766513D-01
                  2.224957D+01           6.936709D-02
                  1.098265D+01           1.179579D-01
                  5.383665D+00           8.916187D-02
                  2.343685D+00           1.103630D-02
                  1.105202D+00          -3.546048D-04
                  4.878480D-01           1.057311D-04
                  8.959900D-02           1.114640D-05
                  3.342300D-02           2.661387D-05
            S    20   1.00
                  6.177194D+06          -2.301772D-06
                  9.249295D+05          -1.789536D-05
                  2.104865D+05          -9.416174D-05
                  5.962005D+04          -3.975074D-04
                  1.945076D+04          -1.447025D-03
                  7.022056D+03          -4.694622D-03
                  2.738763D+03          -1.382387D-02
                  1.135814D+03          -3.674643D-02
                  4.950923D+02          -8.647185D-02
                  2.247487D+02          -1.696735D-01
                  1.053836D+02          -2.507089D-01
                  5.019359D+01          -1.961156D-01
                  2.224957D+01           1.457244D-01
                  1.098265D+01           5.466706D-01
                  5.383665D+00           3.979434D-01
                  2.343685D+00           5.277007D-02
                  1.105202D+00          -4.374537D-03
                  4.878480D-01           3.204035D-04
                  8.959900D-02          -5.142077D-05
                  3.342300D-02           1.584134D-04
            S    20   1.00
                  6.177194D+06           4.862957D-07
                  9.249295D+05           3.776645D-06
                  2.104865D+05           1.990664D-05
                  5.962005D+04           8.389164D-05
                  1.945076D+04           3.065706D-04
                  7.022056D+03           9.944107D-04
                  2.738763D+03           2.961959D-03
                  1.135814D+03           7.969473D-03
                  4.950923D+02           1.955017D-02
                  2.247487D+02           4.085035D-02
                  1.053836D+02           6.929003D-02
                  5.019359D+01           6.146984D-02
                  2.224957D+01          -6.981302D-02
                  1.098265D+01          -3.517597D-01
                  5.383665D+00          -3.828629D-01
                  2.343685D+00           2.676401D-01
                  1.105202D+00           7.175950D-01
                  4.878480D-01           3.020814D-01
                  8.959900D-02           7.749514D-03
                  3.342300D-02           2.696096D-04
            S    20   1.00
                  6.177194D+06          -1.102451D-07
                  9.249295D+05          -8.530233D-07
                  2.104865D+05          -4.520358D-06
                  5.962005D+04          -1.891612D-05
                  1.945076D+04          -6.974344D-05
                  7.022056D+03          -2.237867D-04
                  2.738763D+03          -6.754503D-04
                  1.135814D+03          -1.789346D-03
                  4.950923D+02          -4.477858D-03
                  2.247487D+02          -9.140144D-03
                  1.053836D+02          -1.610562D-02
                  5.019359D+01          -1.334870D-02
                  2.224957D+01           1.426027D-02
                  1.098265D+01           8.931690D-02
                  5.383665D+00           8.885279D-02
                  2.343685D+00          -6.368776D-02
                  1.105202D+00          -2.783262D-01
                  4.878480D-01          -1.830071D-01
                  8.959900D-02           6.790937D-01
                  3.342300D-02           4.672953D-01
            S    20   1.00
                  6.177194D+06           2.179893D-07
                  9.249295D+05           1.612940D-06
                  2.104865D+05           9.111842D-06
                  5.962005D+04           3.500645D-05
                  1.945076D+04           1.435315D-04
                  7.022056D+03           4.035896D-04
                  2.738763D+03           1.425177D-03
                  1.135814D+03           3.114009D-03
                  4.950923D+02           9.814449D-03
                  2.247487D+02           1.474698D-02
                  1.053836D+02           3.911512D-02
                  5.019359D+01           9.170888D-03
                  2.224957D+01           1.559878D-02
                  1.098265D+01          -2.816844D-01
                  5.383665D+00          -6.895261D-03
                  2.343685D+00          -1.769781D-01
                  1.105202D+00           1.443061D+00
                  4.878480D-01          -1.029318D+00
                  8.959900D-02          -1.307667D+00
                  3.342300D-02           1.503842D+00
            S    1   1.00
                  3.342300D-02           1.000000D+00
            S    1   1.00
                  1.247000D-02           1.000000D+00
            P    16   1.00
                  1.445420D+04           4.400000D-05
                  3.421676D+03           3.890000D-04
                  1.111387D+03           2.241000D-03
                  4.251918D+02           9.821000D-03
                  1.802623D+02           3.447100D-02
                  8.206117D+01           9.746000D-02
                  3.929726D+01           2.119850D-01
                  1.941959D+01           3.339900D-01
                  9.828899D+00           3.301370D-01
                  5.016810D+00           1.522270D-01
                  2.487091D+00           2.042500D-02
                  1.198780D+00          -1.360000D-03
                  5.586950D-01          -1.195000D-03
                  2.089240D-01          -1.970000D-04
                  8.460800D-02           2.300000D-05
                  3.325800D-02          -9.000000D-06
            P    16   1.00
                  1.445420D+04          -1.500000D-05
                  3.421676D+03          -1.350000D-04
                  1.111387D+03          -7.770000D-04
                  4.251918D+02          -3.427000D-03
                  1.802623D+02          -1.218900D-02
                  8.206117D+01          -3.538800D-02
                  3.929726D+01          -7.991500D-02
                  1.941959D+01          -1.323350D-01
                  9.828899D+00          -1.354010D-01
                  5.016810D+00           3.200800D-02
                  2.487091D+00           3.338490D-01
                  1.198780D+00           4.617730D-01
                  5.586950D-01           2.812900D-01
                  2.089240D-01           4.184300D-02
                  8.460800D-02          -4.002000D-03
                  3.325800D-02           1.521000D-03
            P    16   1.00
                  1.445420D+04           4.000000D-06
                  3.421676D+03           3.200000D-05
                  1.111387D+03           1.850000D-04
                  4.251918D+02           8.100000D-04
                  1.802623D+02           2.906000D-03
                  8.206117D+01           8.391000D-03
                  3.929726D+01           1.919300D-02
                  1.941959D+01           3.156400D-02
                  9.828899D+00           3.341700D-02
                  5.016810D+00          -1.290700D-02
                  2.487091D+00          -9.365900D-02
                  1.198780D+00          -1.499770D-01
                  5.586950D-01          -6.723400D-02
                  2.089240D-01           2.707590D-01
                  8.460800D-02           5.758070D-01
                  3.325800D-02           3.011210D-01
            P    16   1.00
                  1.445420D+04           4.000000D-06
                  3.421676D+03           4.000000D-05
                  1.111387D+03           2.290000D-04
                  4.251918D+02           1.019000D-03
                  1.802623D+02           3.602000D-03
                  8.206117D+01           1.055000D-02
                  3.929726D+01           2.370200D-02
                  1.941959D+01           3.998800D-02
                  9.828899D+00           4.043700D-02
                  5.016810D+00          -1.207400D-02
                  2.487091D+00          -1.189390D-01
                  1.198780D+00          -1.781000D-01
                  5.586950D-01          -1.238650D-01
                  2.089240D-01           4.297220D-01
                  8.460800D-02           6.507860D-01
                  3.325800D-02           6.417100D-02
            P    1   1.00
                  3.325800D-02           1.000000D+00
            P    1   1.00
                  1.307000D-02           1.000000D+00
            D    8   1.00
                  8.857680D+01           3.621000D-03
                  2.620450D+01           2.576600D-02
                  9.517470D+00           9.755600D-02
                  3.822480D+00           2.363120D-01
                  1.575120D+00           3.582860D-01
                  6.289280D-01           3.685430D-01
                  2.344240D-01           2.354940D-01
                  7.681500D-02           5.315600D-02
            D    8   1.00
                  8.857680D+01          -4.122000D-03
                  2.620450D+01          -2.930700D-02
                  9.517470D+00          -1.150620D-01
                  3.822480D+00          -2.730680D-01
                  1.575120D+00          -3.144230D-01
                  6.289280D-01           4.209700D-02
                  2.344240D-01           5.914030D-01
                  7.681500D-02           3.582150D-01
            D    1   1.00
                  7.681500D-02           1.000000D+00
            D    1   1.00
                  2.517000D-02           1.000000D+00
            F    2   1.00
                  2.221100D+00           4.235450D-01
                  5.231000D-01           7.741140D-01
            F    1   1.00
                  1.763600D-01           1.000000D+00
            ****
            -Mn     0
            S    20   1.00
                  3.960805D+06           8.242127D-06
                  5.931155D+05           6.408587D-05
                  1.349768D+05           3.369253D-04
                  3.823067D+04           1.420648D-03
                  1.247154D+04           5.143683D-03
                  4.501743D+03           1.648569D-02
                  1.755212D+03           4.698560D-02
                  7.273039D+02           1.162437D-01
                  3.163678D+02           2.335277D-01
                  1.430098D+02           3.292837D-01
                  6.621805D+01           2.440304D-01
                  2.991896D+01           7.219806D-02
                  1.430318D+01           7.687806D-02
                  6.839451D+00           7.852235D-02
                  3.012374D+00           1.294109D-02
                  1.418808D+00          -3.784873D-04
                  6.236240D-01          -2.503203D-05
                  1.340980D-01          -2.421517D-05
                  6.554800D-02           3.462071D-05
                  2.958400D-02           4.261482D-07
            S    20   1.00
                  3.960805D+06          -3.936095D-06
                  5.931155D+05          -3.060481D-05
                  1.349768D+05          -1.609626D-04
                  3.823067D+04          -6.792348D-04
                  1.247154D+04          -2.466182D-03
                  4.501743D+03          -7.957629D-03
                  1.755212D+03          -2.307248D-02
                  7.273039D+02          -5.932956D-02
                  3.163678D+02          -1.299451D-01
                  1.430098D+02          -2.212352D-01
                  6.621805D+01          -2.292550D-01
                  2.991896D+01           3.580733D-02
                  1.430318D+01           5.107602D-01
                  6.839451D+00           5.008307D-01
                  3.012374D+00           9.011830D-02
                  1.418808D+00          -6.909909D-03
                  6.236240D-01          -1.912925D-04
                  1.340980D-01          -6.032312D-04
                  6.554800D-02           5.621608D-04
                  2.958400D-02          -1.021109D-04
            S    20   1.00
                  3.960805D+06           9.462709D-07
                  5.931155D+05           7.360584D-06
                  1.349768D+05           3.869935D-05
                  3.823067D+04           1.635110D-04
                  1.247154D+04           5.941775D-04
                  4.501743D+03           1.927737D-03
                  1.755212D+03           5.641731D-03
                  7.273039D+02           1.487848D-02
                  3.163678D+02           3.414783D-02
                  1.430098D+02           6.405794D-02
                  6.621805D+01           7.557659D-02
                  2.991896D+01          -1.946070D-02
                  1.430318D+01          -2.957874D-01
                  6.839451D+00          -4.521170D-01
                  3.012374D+00           1.224531D-01
                  1.418808D+00           7.169756D-01
                  6.236240D-01           4.092712D-01
                  1.340980D-01           2.221969D-02
                  6.554800D-02          -9.011202D-03
                  2.958400D-02           3.691727D-03
            S    20   1.00
                  3.960805D+06          -2.095391D-07
                  5.931155D+05          -1.629439D-06
                  1.349768D+05          -8.570592D-06
                  3.823067D+04          -3.619272D-05
                  1.247154D+04          -1.316146D-04
                  4.501743D+03          -4.266810D-04
                  1.755212D+03          -1.250270D-03
                  7.273039D+02          -3.294665D-03
                  3.163678D+02          -7.581860D-03
                  1.430098D+02          -1.422864D-02
                  6.621805D+01          -1.693796D-02
                  2.991896D+01           4.454298D-03
                  1.430318D+01           6.867042D-02
                  6.839451D+00           1.113335D-01
                  3.012374D+00          -3.900820D-02
                  1.418808D+00          -2.215755D-01
                  6.236240D-01          -2.544359D-01
                  1.340980D-01           2.865866D-01
                  6.554800D-02           5.755741D-01
                  2.958400D-02           2.898778D-01
            S    20   1.00
                  3.960805D+06          -4.121231D-07
                  5.931155D+05          -3.282099D-06
                  1.349768D+05          -1.667433D-05
                  3.823067D+04          -7.369999D-05
                  1.247154D+04          -2.529495D-04
                  4.501743D+03          -8.801425D-04
                  1.755212D+03          -2.365482D-03
                  7.273039D+02          -6.926354D-03
                  3.163678D+02          -1.393851D-02
                  1.430098D+02          -3.143840D-02
                  6.621805D+01          -2.625749D-02
                  2.991896D+01          -1.048313D-02
                  1.430318D+01           1.856472D-01
                  6.839451D+00           1.524839D-01
                  3.012374D+00           7.411368D-02
                  1.418808D+00          -1.018097D+00
                  6.236240D-01           2.980372D-01
                  1.340980D-01           1.971989D+00
                  6.554800D-02          -1.179253D+00
                  2.958400D-02          -5.837703D-01
            S    1   1.00
                  2.958400D-02           1.000000D+00
            S    1   1.00
                  1.335000D-02           1.000000D+00
            P    16   1.00
                  1.620586D+04           4.200000D-05
                  3.836274D+03           3.730000D-04
                  1.246048D+03           2.149000D-03
                  4.767535D+02           9.445000D-03
                  2.021895D+02           3.329700D-02
                  9.209487D+01           9.475900D-02
                  4.414720D+01           2.081440D-01
                  2.185468D+01           3.318050D-01
                  1.108596D+01           3.331750D-01
                  5.674108D+00           1.576010D-01
                  2.823170D+00           2.144500D-02
                  1.368621D+00          -2.558000D-03
                  6.444310D-01          -2.027000D-03
                  2.483820D-01          -3.600000D-04
                  9.725500D-02           3.400000D-05
                  3.663300D-02          -1.300000D-05
            P    16   1.00
                  1.620586D+04          -1.500000D-05
                  3.836274D+03          -1.290000D-04
                  1.246048D+03          -7.480000D-04
                  4.767535D+02          -3.308000D-03
                  2.021895D+02          -1.181100D-02
                  9.209487D+01          -3.453300D-02
                  4.414720D+01          -7.878500D-02
                  2.185468D+01          -1.321830D-01
                  1.108596D+01          -1.371950D-01
                  5.674108D+00           2.707500D-02
                  2.823170D+00           3.288910D-01
                  1.368621D+00           4.572800D-01
                  6.444310D-01           2.889080D-01
                  2.483820D-01           4.743300D-02
                  9.725500D-02          -3.522000D-03
                  3.663300D-02           1.456000D-03
            P    16   1.00
                  1.620586D+04           3.000000D-06
                  3.836274D+03           3.000000D-05
                  1.246048D+03           1.720000D-04
                  4.767535D+02           7.620000D-04
                  2.021895D+02           2.726000D-03
                  9.209487D+01           7.976000D-03
                  4.414720D+01           1.828700D-02
                  2.185468D+01           3.077600D-02
                  1.108596D+01           3.237300D-02
                  5.674108D+00          -9.978000D-03
                  2.823170D+00          -9.052900D-02
                  1.368621D+00          -1.380040D-01
                  6.444310D-01          -7.796500D-02
                  2.483820D-01           2.295600D-01
                  9.725500D-02           5.761220D-01
                  3.663300D-02           3.485380D-01
            P    16   1.00
                  1.620586D+04           4.000000D-06
                  3.836274D+03           4.000000D-05
                  1.246048D+03           2.260000D-04
                  4.767535D+02           1.013000D-03
                  2.021895D+02           3.575000D-03
                  9.209487D+01           1.061200D-02
                  4.414720D+01           2.390200D-02
                  2.185468D+01           4.127900D-02
                  1.108596D+01           4.147500D-02
                  5.674108D+00          -9.458000D-03
                  2.823170D+00          -1.236950D-01
                  1.368621D+00          -1.743920D-01
                  6.444310D-01          -1.291700D-01
                  2.483820D-01           4.003480D-01
                  9.725500D-02           6.696460D-01
                  3.663300D-02           8.273200D-02
            P    1   1.00
                  3.663300D-02           1.000000D+00
            P    1   1.00
                  1.380000D-02           1.000000D+00
            D    8   1.00
                  1.006630D+02           3.579000D-03
                  2.983360D+01           2.582700D-02
                  1.088940D+01           9.855900D-02
                  4.393580D+00           2.383270D-01
                  1.817820D+00           3.587070D-01
                  7.278270D-01           3.650920D-01
                  2.712950D-01           2.337380D-01
                  8.830900D-02           5.661800D-02
            D    8   1.00
                  1.006630D+02          -3.454000D-03
                  2.983360D+01          -2.492500D-02
                  1.088940D+01          -9.763500D-02
                  4.393580D+00          -2.366920D-01
                  1.817820D+00          -2.923500D-01
                  7.278270D-01          -4.973000D-03
                  2.712950D-01           5.065880D-01
                  8.830900D-02           4.979510D-01
            D    1   1.00
                  8.830900D-02           1.000000D+00
            D    1   1.00
                  2.875000D-02           1.000000D+00
            F    2   1.00
                  2.703200D+00           4.267760D-01
                  6.438000D-01           7.697990D-01
            F    1   1.00
                  2.226000D-01           1.000000D+00
            ****
            -Fe     0
            S    20   1.00
                  4.316265D+06           8.048803D-06
                  6.463424D+05           6.258306D-05
                  1.470897D+05           3.290239D-04
                  4.166152D+04           1.387355D-03
                  1.359077D+04           5.023256D-03
                  4.905750D+03           1.610140D-02
                  1.912746D+03           4.590034D-02
                  7.926043D+02           1.136154D-01
                  3.448065D+02           2.283869D-01
                  1.558999D+02           3.221159D-01
                  7.223091D+01           2.383661D-01
                  3.272506D+01           7.404667D-02
                  1.566762D+01           9.214197D-02
                  7.503483D+00           9.339790D-02
                  3.312223D+00           1.573965D-02
                  1.558471D+00          -4.186682D-04
                  6.839140D-01           5.376318D-05
                  1.467570D-01          -3.816654D-05
                  7.058300D-02           4.319603D-05
                  3.144900D-02          -3.401019D-06
            S    20   1.00
                  4.316265D+06          -4.155954D-06
                  6.463424D+05          -3.231401D-05
                  1.470897D+05          -1.699525D-04
                  4.166152D+04          -7.171369D-04
                  1.359077D+04          -2.603625D-03
                  4.905750D+03          -8.399109D-03
                  1.912746D+03          -2.434109D-02
                  7.926043D+02          -6.251948D-02
                  3.448065D+02          -1.365929D-01
                  1.558999D+02          -2.312707D-01
                  7.223091D+01          -2.383734D-01
                  3.272506D+01           3.123837D-02
                  1.566762D+01           5.086818D-01
                  7.503483D+00           4.987695D-01
                  3.312223D+00           9.033552D-02
                  1.558471D+00          -6.005337D-03
                  6.839140D-01           2.312454D-04
                  1.467570D-01          -5.643680D-04
                  7.058300D-02           4.992260D-04
                  3.144900D-02          -1.015293D-04
            S    20   1.00
                  4.316265D+06           9.532178D-07
                  6.463424D+05           7.414605D-06
                  1.470897D+05           3.898393D-05
                  4.166152D+04           1.647152D-04
                  1.359077D+04           5.985980D-04
                  4.905750D+03           1.942390D-03
                  1.912746D+03           5.687237D-03
                  7.926043D+02           1.501329D-02
                  3.448065D+02           3.452455D-02
                  1.558999D+02           6.495820D-02
                  7.223091D+01           7.716194D-02
                  3.272506D+01          -1.873411D-02
                  1.566762D+01          -3.009185D-01
                  7.503483D+00          -4.554661D-01
                  3.312223D+00           1.286463D-01
                  1.558471D+00           7.183316D-01
                  6.839140D-01           4.051743D-01
                  1.467570D-01           2.168227D-02
                  7.058300D-02          -8.343566D-03
                  3.144900D-02           3.658979D-03
            S    20   1.00
                  4.316265D+06          -2.063008D-07
                  6.463424D+05          -1.604169D-06
                  1.470897D+05          -8.438437D-06
                  4.166152D+04          -3.563151D-05
                  1.359077D+04          -1.295998D-04
                  4.905750D+03          -4.201534D-04
                  1.912746D+03          -1.231954D-03
                  7.926043D+02          -3.248922D-03
                  3.448065D+02          -7.493717D-03
                  1.558999D+02          -1.410102D-02
                  7.223091D+01          -1.691600D-02
                  3.272506D+01           4.218996D-03
                  1.566762D+01           6.833810D-02
                  7.503483D+00           1.098201D-01
                  3.312223D+00          -4.009005D-02
                  1.558471D+00          -2.174739D-01
                  6.839140D-01          -2.465135D-01
                  1.467570D-01           2.731435D-01
                  7.058300D-02           5.748321D-01
                  3.144900D-02           3.012713D-01
            S    20   1.00
                  4.316265D+06          -4.009367D-07
                  6.463424D+05          -3.189255D-06
                  1.470897D+05          -1.623079D-05
                  4.166152D+04          -7.157920D-05
                  1.359077D+04          -2.463958D-04
                  4.905750D+03          -8.544907D-04
                  1.912746D+03          -2.307593D-03
                  7.926043D+02          -6.728292D-03
                  3.448065D+02          -1.366165D-02
                  1.558999D+02          -3.062240D-02
                  7.223091D+01          -2.631137D-02
                  3.272506D+01          -9.760183D-03
                  1.566762D+01           1.801906D-01
                  7.503483D+00           1.529634D-01
                  3.312223D+00           5.505413D-02
                  1.558471D+00          -9.551364D-01
                  6.839140D-01           2.586813D-01
                  1.467570D-01           1.834049D+00
                  7.058300D-02          -9.333240D-01
                  3.144900D-02          -6.981605D-01
            S    1   1.00
                  3.144900D-02           1.000000D+00
            S    1   1.00
                  1.401000D-02           1.000000D+00
            P    16   1.00
                  1.774569D+04           4.100000D-05
                  4.200721D+03           3.690000D-04
                  1.364429D+03           2.129000D-03
                  5.220806D+02           9.369000D-03
                  2.214595D+02           3.309700D-02
                  1.009096D+02           9.443100D-02
                  4.840115D+01           2.080770D-01
                  2.398536D+01           3.323330D-01
                  1.218250D+01           3.329870D-01
                  6.242298D+00           1.568430D-01
                  3.110944D+00           2.154900D-02
                  1.509958D+00          -2.095000D-03
                  7.108450D-01          -1.739000D-03
                  2.731900D-01          -3.000000D-04
                  1.042330D-01           2.900000D-05
                  3.829100D-02          -1.100000D-05
            P    16   1.00
                  1.774569D+04          -1.500000D-05
                  4.200721D+03          -1.300000D-04
                  1.364429D+03          -7.510000D-04
                  5.220806D+02          -3.329000D-03
                  2.214595D+02          -1.191200D-02
                  1.009096D+02          -3.493300D-02
                  4.840115D+01          -7.998900D-02
                  2.398536D+01          -1.346360D-01
                  1.218250D+01          -1.385980D-01
                  6.242298D+00           3.027800D-02
                  3.110944D+00           3.332160D-01
                  1.509958D+00           4.561530D-01
                  7.108450D-01           2.850510D-01
                  2.731900D-01           4.614400D-02
                  1.042330D-01          -3.249000D-03
                  3.829100D-02           1.357000D-03
            P    16   1.00
                  1.774569D+04           3.000000D-06
                  4.200721D+03           2.900000D-05
                  1.364429D+03           1.650000D-04
                  5.220806D+02           7.340000D-04
                  2.214595D+02           2.626000D-03
                  1.009096D+02           7.725000D-03
                  4.840115D+01           1.773300D-02
                  2.398536D+01           3.005500D-02
                  1.218250D+01           3.109400D-02
                  6.242298D+00          -1.004800D-02
                  3.110944D+00          -8.830600D-02
                  1.509958D+00          -1.298240D-01
                  7.108450D-01          -7.693700D-02
                  2.731900D-01           2.126610D-01
                  1.042330D-01           5.730610D-01
                  3.829100D-02           3.696510D-01
            P    16   1.00
                  1.774569D+04           5.000000D-06
                  4.200721D+03           4.200000D-05
                  1.364429D+03           2.410000D-04
                  5.220806D+02           1.085000D-03
                  2.214595D+02           3.831000D-03
                  1.009096D+02           1.142300D-02
                  4.840115D+01           2.579200D-02
                  2.398536D+01           4.481800D-02
                  1.218250D+01           4.459800D-02
                  6.242298D+00          -1.117700D-02
                  3.110944D+00          -1.381340D-01
                  1.509958D+00          -1.882850D-01
                  7.108450D-01          -1.073990D-01
                  2.731900D-01           4.448630D-01
                  1.042330D-01           6.402390D-01
                  3.829100D-02           6.445700D-02
            P    1   1.00
                  3.829100D-02           1.000000D+00
            P    1   1.00
                  1.407000D-02           1.000000D+00
            D    8   1.00
                  1.133440D+02           3.530000D-03
                  3.364140D+01           2.578400D-02
                  1.233100D+01           9.911900D-02
                  4.994780D+00           2.390730D-01
                  2.072800D+00           3.571990D-01
                  8.307530D-01           3.621880D-01
                  3.091780D-01           2.364610D-01
                  1.001300D-01           6.011800D-02
            D    8   1.00
                  1.133440D+02          -3.890000D-03
                  3.364140D+01          -2.844200D-02
                  1.233100D+01          -1.124290D-01
                  4.994780D+00          -2.742570D-01
                  2.072800D+00          -3.155460D-01
                  8.307530D-01           5.710900D-02
                  3.091780D-01           5.636040D-01
                  1.001300D-01           3.846370D-01
            D    1   1.00
                  1.001300D-01           1.000000D+00
            D    1   1.00
                  3.243000D-02           1.000000D+00
            F    2   1.00
                  3.224300D+00           4.222490D-01
                  7.758000D-01           7.714680D-01
            F    1   1.00
                  2.749000D-01           1.000000D+00
            ****
            -Co     0
            S    20   1.00
                  4.675675D+06           7.979026D-06
                  7.001615D+05           6.204071D-05
                  1.593373D+05           3.261735D-04
                  4.513046D+04           1.375360D-03
                  1.472238D+04           4.979997D-03
                  5.314222D+03           1.596434D-02
                  2.072018D+03           4.552086D-02
                  8.586188D+02           1.127385D-01
                  3.735497D+02           2.268262D-01
                  1.689229D+02           3.203074D-01
                  7.829639D+01           2.374021D-01
                  3.552123D+01           7.477686D-02
                  1.704144D+01           9.581872D-02
                  8.173000D+00           9.649911D-02
                  3.610318D+00           1.623362D-02
                  1.697047D+00          -4.535497D-04
                  7.435320D-01           5.113519D-05
                  1.583440D-01          -4.174508D-05
                  7.503600D-02           4.027577D-05
                  3.309100D-02          -5.789067D-06
            S    20   1.00
                  4.675675D+06          -4.200240D-06
                  7.001615D+05          -3.265831D-05
                  1.593373D+05          -1.717644D-04
                  4.513046D+04          -7.247853D-04
                  1.472238D+04          -2.631462D-03
                  5.314222D+03          -8.489272D-03
                  2.072018D+03          -2.460619D-02
                  8.586188D+02          -6.322059D-02
                  3.735497D+02          -1.381957D-01
                  1.689229D+02          -2.340680D-01
                  7.829639D+01          -2.415002D-01
                  3.552123D+01           3.035312D-02
                  1.704144D+01           5.101341D-01
                  8.173000D+00           4.974939D-01
                  3.610318D+00           8.970746D-02
                  1.697047D+00          -5.941034D-03
                  7.435320D-01           2.175362D-04
                  1.583440D-01          -5.480155D-04
                  7.503600D-02           4.525804D-04
                  3.309100D-02          -1.066748D-04
            S    20   1.00
                  4.675675D+06           9.592692D-07
                  7.001615D+05           7.461851D-06
                  1.593373D+05           3.923137D-05
                  4.513046D+04           1.657706D-04
                  1.472238D+04           6.024335D-04
                  5.314222D+03           1.955217D-03
                  2.072018D+03           5.726326D-03
                  8.586188D+02           1.512984D-02
                  3.735497D+02           3.483973D-02
                  1.689229D+02           6.570351D-02
                  7.829639D+01           7.831503D-02
                  3.552123D+01          -1.877037D-02
                  1.704144D+01          -3.062663D-01
                  8.173000D+00          -4.566429D-01
                  3.610318D+00           1.378169D-01
                  1.697047D+00           7.193676D-01
                  7.435320D-01           3.992579D-01
                  1.583440D-01           2.079933D-02
                  7.503600D-02          -7.820663D-03
                  3.309100D-02           3.533911D-03
            S    20   1.00
                  4.675675D+06          -2.028840D-07
                  7.001615D+05          -1.577580D-06
                  1.593373D+05          -8.298813D-06
                  4.513046D+04          -3.504154D-05
                  1.472238D+04          -1.274655D-04
                  5.314222D+03          -4.132695D-04
                  2.072018D+03          -1.212261D-03
                  8.586188D+02          -3.199318D-03
                  3.735497D+02          -7.390972D-03
                  1.689229D+02          -1.393649D-02
                  7.829639D+01          -1.678575D-02
                  3.552123D+01           4.149856D-03
                  1.704144D+01           6.797646D-02
                  8.173000D+00           1.075807D-01
                  3.610318D+00          -4.166022D-02
                  1.697047D+00          -2.128044D-01
                  7.435320D-01          -2.381360D-01
                  1.583440D-01           2.650788D-01
                  7.503600D-02           5.722774D-01
                  3.309100D-02           3.091556D-01
            S    20   1.00
                  4.675675D+06          -3.863053D-07
                  7.001615D+05          -3.068788D-06
                  1.593373D+05          -1.564826D-05
                  4.513046D+04          -6.883588D-05
                  1.472238D+04          -2.377367D-04
                  5.314222D+03          -8.213173D-04
                  2.072018D+03          -2.229630D-03
                  8.586188D+02          -6.467841D-03
                  3.735497D+02          -1.325463D-02
                  1.689229D+02          -2.946686D-02
                  7.829639D+01          -2.599066D-02
                  3.552123D+01          -8.499807D-03
                  1.704144D+01           1.727316D-01
                  8.173000D+00           1.512189D-01
                  3.610318D+00           3.554509D-02
                  1.697047D+00          -8.829353D-01
                  7.435320D-01           2.143530D-01
                  1.583440D-01           1.711865D+00
                  7.503600D-02          -7.140037D-01
                  3.309100D-02          -8.027727D-01
            S    1   1.00
                  3.309100D-02           1.000000D+00
            S    1   1.00
                  1.459000D-02           1.000000D+00
            P    16   1.00
                  1.926778D+04           4.100000D-05
                  4.560986D+03           3.690000D-04
                  1.481436D+03           2.128000D-03
                  5.668671D+02           9.372000D-03
                  2.404910D+02           3.315500D-02
                  1.096105D+02           9.475200D-02
                  5.259491D+01           2.090930D-01
                  2.608361D+01           3.337220D-01
                  1.326143D+01           3.322080D-01
                  6.799778D+00           1.546130D-01
                  3.393414D+00           2.090200D-02
                  1.648766D+00          -2.024000D-03
                  7.762820D-01          -1.697000D-03
                  2.980030D-01          -2.800000D-04
                  1.136180D-01           2.600000D-05
                  4.162400D-02          -1.000000D-05
            P    16   1.00
                  1.926778D+04          -1.500000D-05
                  4.560986D+03          -1.310000D-04
                  1.481436D+03          -7.580000D-04
                  5.668671D+02          -3.363000D-03
                  2.404910D+02          -1.205400D-02
                  1.096105D+02          -3.542400D-02
                  5.259491D+01          -8.128700D-02
                  2.608361D+01          -1.369080D-01
                  1.326143D+01          -1.390190D-01
                  6.799778D+00           3.546800D-02
                  3.393414D+00           3.384980D-01
                  1.648766D+00           4.544330D-01
                  7.762820D-01           2.797930D-01
                  2.980030D-01           4.477600D-02
                  1.136180D-01          -3.151000D-03
                  4.162400D-02           1.317000D-03
            P    16   1.00
                  1.926778D+04          -3.000000D-06
                  4.560986D+03          -2.900000D-05
                  1.481436D+03          -1.670000D-04
                  5.668671D+02          -7.420000D-04
                  2.404910D+02          -2.662000D-03
                  1.096105D+02          -7.841000D-03
                  5.259491D+01          -1.805100D-02
                  2.608361D+01          -3.058000D-02
                  1.326143D+01          -3.131200D-02
                  6.799778D+00           1.131100D-02
                  3.393414D+00           8.999000D-02
                  1.648766D+00           1.307330D-01
                  7.762820D-01           7.180800D-02
                  2.980030D-01          -2.216580D-01
                  1.136180D-01          -5.710250D-01
                  4.162400D-02          -3.637890D-01
            P    16   1.00
                  1.926778D+04           5.000000D-06
                  4.560986D+03           4.500000D-05
                  1.481436D+03           2.550000D-04
                  5.668671D+02           1.144000D-03
                  2.404910D+02           4.061000D-03
                  1.096105D+02           1.209500D-02
                  5.259491D+01           2.747600D-02
                  2.608361D+01           4.755700D-02
                  1.326143D+01           4.730200D-02
                  6.799778D+00          -1.441800D-02
                  3.393414D+00          -1.500620D-01
                  1.648766D+00          -1.990920D-01
                  7.762820D-01          -7.978300D-02
                  2.980030D-01           4.590350D-01
                  1.136180D-01           6.174950D-01
                  4.162400D-02           6.469000D-02
            P    1   1.00
                  4.162400D-02           1.000000D+00
            P    1   1.00
                  1.525000D-02           1.000000D+00
            D    8   1.00
                  1.262640D+02           3.510000D-03
                  3.752260D+01           2.588400D-02
                  1.380210D+01           1.000580D-01
                  5.609270D+00           2.405470D-01
                  2.333690D+00           3.568430D-01
                  9.364150D-01           3.595790D-01
                  3.482370D-01           2.366290D-01
                  1.123530D-01           6.212900D-02
            D    8   1.00
                  1.262640D+02          -4.067000D-03
                  3.752260D+01          -3.005300D-02
                  1.380210D+01          -1.196200D-01
                  5.609270D+00          -2.915130D-01
                  2.333690D+00          -3.180480D-01
                  9.364150D-01           9.169800D-02
                  3.482370D-01           5.608230D-01
                  1.123530D-01           3.586780D-01
            D    1   1.00
                  1.123530D-01           1.000000D+00
            D    1   1.00
                  3.625000D-02           1.000000D+00
            F    2   1.00
                  3.772400D+00           4.239660D-01
                  9.170000D-01           7.684290D-01
            F    1   1.00
                  3.271500D-01           1.000000D+00
            ****
            -Ni     0
            S    20   1.00
                  5.045991D+06           8.208996D-06
                  7.556142D+05           6.382884D-05
                  1.719568D+05           3.355800D-04
                  4.870479D+04           1.415075D-03
                  1.588841D+04           5.124444D-03
                  5.735123D+03           1.643256D-02
                  2.236137D+03           4.689398D-02
                  9.266468D+02           1.163534D-01
                  4.031743D+02           2.350511D-01
                  1.823476D+02           3.350184D-01
                  8.454885D+01           2.534779D-01
                  3.839634D+01           7.300901D-02
                  1.845859D+01           6.184244D-02
                  8.863548D+00           6.302956D-02
                  3.916227D+00           1.008063D-02
                  1.838870D+00          -2.244528D-04
                  8.043620D-01          -5.932767D-05
                  1.697970D-01          -1.158562D-05
                  7.930600D-02           8.115109D-06
                  3.467700D-02          -1.681699D-06
            S    20   1.00
                  5.045991D+06          -3.657849D-06
                  7.556142D+05          -2.844094D-05
                  1.719568D+05          -1.495928D-04
                  4.870479D+04          -6.313009D-04
                  1.588841D+04          -2.293052D-03
                  5.735123D+03          -7.405123D-03
                  2.236137D+03          -2.152032D-02
                  9.266468D+02          -5.560974D-02
                  4.031743D+02          -1.230176D-01
                  1.823476D+02          -2.130104D-01
                  8.454885D+01          -2.265837D-01
                  3.839634D+01           3.546796D-02
                  1.845859D+01           5.181697D-01
                  8.863548D+00           5.025630D-01
                  3.916227D+00           8.955674D-02
                  1.838870D+00          -7.031311D-03
                  8.043620D-01          -4.339167D-04
                  1.697970D-01          -5.831711D-04
                  7.930600D-02           4.228788D-04
                  3.467700D-02          -1.266714D-04
            S    20   1.00
                  5.045991D+06           9.594149D-07
                  7.556142D+05           7.462614D-06
                  1.719568D+05           3.923843D-05
                  4.870479D+04           1.657868D-04
                  1.588841D+04           6.025905D-04
                  5.735123D+03           1.955662D-03
                  2.236137D+03           5.730391D-03
                  9.266468D+02           1.514756D-02
                  4.031743D+02           3.493499D-02
                  1.823476D+02           6.598072D-02
                  8.454885D+01           7.893083D-02
                  3.839634D+01          -1.906249D-02
                  1.845859D+01          -3.095921D-01
                  8.863548D+00          -4.558610D-01
                  3.916227D+00           1.482931D-01
                  1.838870D+00           7.134039D-01
                  8.043620D-01           3.976063D-01
                  1.697970D-01           2.295523D-02
                  7.930600D-02          -9.151758D-03
                  3.467700D-02           3.875414D-03
            S    20   1.00
                  5.045991D+06          -2.013753D-07
                  7.556142D+05          -1.565832D-06
                  1.719568D+05          -8.237182D-06
                  4.870479D+04          -3.478105D-05
                  1.588841D+04          -1.265265D-04
                  5.735123D+03          -4.102589D-04
                  2.236137D+03          -1.203834D-03
                  9.266468D+02          -3.179062D-03
                  4.031743D+02          -7.353828D-03
                  1.823476D+02          -1.389022D-02
                  8.454885D+01          -1.677875D-02
                  3.839634D+01           4.163378D-03
                  1.845859D+01           6.814703D-02
                  8.863548D+00           1.061029D-01
                  3.916227D+00          -4.339980D-02
                  1.838870D+00          -2.094950D-01
                  8.043620D-01          -2.310271D-01
                  1.697970D-01           2.590532D-01
                  7.930600D-02           5.691426D-01
                  3.467700D-02           3.158125D-01
            S    20   1.00
                  5.045991D+06          -3.924245D-07
                  7.556142D+05          -3.113909D-06
                  1.719568D+05          -1.590447D-05
                  4.870479D+04          -6.981394D-05
                  1.588841D+04          -2.417848D-04
                  5.735123D+03          -8.326195D-04
                  2.236137D+03          -2.270294D-03
                  9.266468D+02          -6.557427D-03
                  4.031743D+02          -1.354288D-02
                  1.823476D+02          -2.989768D-02
                  8.454885D+01          -2.693106D-02
                  3.839634D+01          -7.827693D-03
                  1.845859D+01           1.741667D-01
                  8.863548D+00           1.595468D-01
                  3.916227D+00           1.995550D-02
                  1.838870D+00          -8.897000D-01
                  8.043620D-01           2.486892D-01
                  1.697970D-01           1.613012D+00
                  7.930600D-02          -5.990277D-01
                  3.467700D-02          -8.369078D-01
            S    1   1.00
                  3.467700D-02           1.000000D+00
            S    1   1.00
                  1.516000D-02           1.000000D+00
            P    16   1.00
                  2.102792D+04           4.100000D-05
                  4.977560D+03           3.630000D-04
                  1.616740D+03           2.097000D-03
                  6.186718D+02           9.250000D-03
                  2.625183D+02           3.279600D-02
                  1.196907D+02           9.400400D-02
                  5.746585D+01           2.082800D-01
                  2.852829D+01           3.336540D-01
                  1.452148D+01           3.329040D-01
                  7.453850D+00           1.553720D-01
                  3.723553D+00           2.085900D-02
                  1.809813D+00          -2.440000D-03
                  8.513360D-01          -1.998000D-03
                  3.248140D-01          -3.380000D-04
                  1.195220D-01           3.500000D-05
                  4.236600D-02          -1.200000D-05
            P    16   1.00
                  2.102792D+04          -1.500000D-05
                  4.977560D+03          -1.290000D-04
                  1.616740D+03          -7.490000D-04
                  6.186718D+02          -3.328000D-03
                  2.625183D+02          -1.194700D-02
                  1.196907D+02          -3.524200D-02
                  5.746585D+01          -8.120400D-02
                  2.852829D+01          -1.374930D-01
                  1.452148D+01          -1.392260D-01
                  7.453850D+00           3.601600D-02
                  3.723553D+00           3.391280D-01
                  1.809813D+00           4.504720D-01
                  8.513360D-01           2.817830D-01
                  3.248140D-01           4.789800D-02
                  1.195220D-01          -2.987000D-03
                  4.236600D-02           1.309000D-03
            P    16   1.00
                  2.102792D+04           3.000000D-06
                  4.977560D+03           2.600000D-05
                  1.616740D+03           1.520000D-04
                  6.186718D+02           6.780000D-04
                  2.625183D+02           2.427000D-03
                  1.196907D+02           7.201000D-03
                  5.746585D+01           1.657800D-02
                  2.852829D+01           2.839200D-02
                  1.452148D+01           2.859900D-02
                  7.453850D+00          -1.013200D-02
                  3.723553D+00          -8.291200D-02
                  1.809813D+00          -1.159980D-01
                  8.513360D-01          -7.279500D-02
                  3.248140D-01           1.956400D-01
                  1.195220D-01           5.670990D-01
                  4.236600D-02           3.952700D-01
            P    16   1.00
                  2.102792D+04           6.000000D-06
                  4.977560D+03           5.300000D-05
                  1.616740D+03           3.050000D-04
                  6.186718D+02           1.364000D-03
                  2.625183D+02           4.876000D-03
                  1.196907D+02           1.450300D-02
                  5.746585D+01           3.329600D-02
                  2.852829D+01           5.748200D-02
                  1.452148D+01           5.870200D-02
                  7.453850D+00          -1.990400D-02
                  3.723553D+00          -1.946950D-01
                  1.809813D+00          -2.396130D-01
                  8.513360D-01          -2.232000D-03
                  3.248140D-01           5.214350D-01
                  1.195220D-01           5.455400D-01
                  4.236600D-02           4.362200D-02
            P    1   1.00
                  4.236600D-02           1.000000D+00
            P    1   1.00
                  1.502000D-02           1.000000D+00
            D    8   1.00
                  1.402527D+02           3.376000D-03
                  4.172610D+01           2.514100D-02
                  1.539810D+01           9.774600D-02
                  6.277100D+00           2.347090D-01
                  2.618500D+00           3.469450D-01
                  1.052600D+00           3.510680D-01
                  3.916000D-01           2.502550D-01
                  1.262000D-01           1.000820D-01
            D    8   1.00
                  1.402527D+02          -3.495000D-03
                  4.172610D+01          -2.601500D-02
                  1.539810D+01          -1.038760D-01
                  6.277100D+00          -2.520700D-01
                  2.618500D+00          -2.945800D-01
                  1.052600D+00           1.152000D-03
                  3.916000D-01           4.385890D-01
                  1.262000D-01           5.436260D-01
            D    1   1.00
                  1.262000D-01           1.000000D+00
            D    1   1.00
                  4.067000D-02           1.000000D+00
            F    2   1.00
                  4.345500D+00           4.174290D-01
                  1.068000D+00           7.714830D-01
            F    1   1.00
                  4.083000D-01           1.000000D+00
            ****
            -Cu     0
            S    20   1.00
                  5.430321D+06           7.801026D-06
                  8.131665D+05           6.065666D-05
                  1.850544D+05           3.188964D-04
                  5.241466D+04           1.344687D-03
                  1.709868D+04           4.869050D-03
                  6.171994D+03           1.561013D-02
                  2.406481D+03           4.452077D-02
                  9.972584D+02           1.103111D-01
                  4.339289D+02           2.220342D-01
                  1.962869D+02           3.133739D-01
                  9.104280D+01           2.315121D-01
                  4.138425D+01           7.640920D-02
                  1.993278D+01           1.103818D-01
                  9.581891D+00           1.094372D-01
                  4.234516D+00           1.836311D-02
                  1.985814D+00          -6.043084D-04
                  8.670830D-01           5.092245D-05
                  1.813390D-01          -5.540730D-05
                  8.365700D-02           3.969482D-05
                  3.626700D-02          -1.269538D-05
            S    20   1.00
                  5.430321D+06          -4.404706D-06
                  8.131665D+05          -3.424801D-05
                  1.850544D+05          -1.801238D-04
                  5.241466D+04          -7.600455D-04
                  1.709868D+04          -2.759348D-03
                  6.171994D+03          -8.900970D-03
                  2.406481D+03          -2.579378D-02
                  9.972584D+02          -6.623861D-02
                  4.339289D+02          -1.445927D-01
                  1.962869D+02          -2.440110D-01
                  9.104280D+01          -2.504837D-01
                  4.138425D+01           2.852577D-02
                  1.993278D+01           5.115874D-01
                  9.581891D+00           4.928061D-01
                  4.234516D+00           8.788437D-02
                  1.985814D+00          -5.820281D-03
                  8.670830D-01           2.013508D-04
                  1.813390D-01          -5.182553D-04
                  8.365700D-02           3.731503D-04
                  3.626700D-02          -1.193171D-04
            S    20   1.00
                  5.430321D+06           9.704682D-07
                  8.131665D+05           7.549245D-06
                  1.850544D+05           3.968892D-05
                  5.241466D+04           1.677200D-04
                  1.709868D+04           6.095101D-04
                  6.171994D+03           1.978846D-03
                  2.406481D+03           5.798049D-03
                  9.972584D+02           1.534158D-02
                  4.339289D+02           3.540484D-02
                  1.962869D+02           6.702098D-02
                  9.104280D+01           8.026945D-02
                  4.138425D+01          -1.927231D-02
                  1.993278D+01          -3.160129D-01
                  9.581891D+00          -4.573162D-01
                  4.234516D+00           1.550841D-01
                  1.985814D+00           7.202872D-01
                  8.670830D-01           3.885122D-01
                  1.813390D-01           1.924326D-02
                  8.365700D-02          -7.103807D-03
                  3.626700D-02           3.272906D-03
            S    20   1.00
                  5.430321D+06          -1.959354D-07
                  8.131665D+05          -1.523472D-06
                  1.850544D+05          -8.014808D-06
                  5.241466D+04          -3.383992D-05
                  1.709868D+04          -1.231191D-04
                  6.171994D+03          -3.992085D-04
                  2.406481D+03          -1.171900D-03
                  9.972584D+02          -3.096141D-03
                  4.339289D+02          -7.171993D-03
                  1.962869D+02          -1.356621D-02
                  9.104280D+01          -1.643989D-02
                  4.138425D+01           4.107628D-03
                  1.993278D+01           6.693964D-02
                  9.581891D+00           1.028221D-01
                  4.234516D+00          -4.422945D-02
                  1.985814D+00          -2.031191D-01
                  8.670830D-01          -2.230022D-01
                  1.813390D-01           2.517975D-01
                  8.365700D-02           5.650091D-01
                  3.626700D-02           3.247243D-01
            S    20   1.00
                  5.430321D+06          -3.532229D-07
                  8.131665D+05          -2.798812D-06
                  1.850544D+05          -1.432517D-05
                  5.241466D+04          -6.270946D-05
                  1.709868D+04          -2.179490D-04
                  6.171994D+03          -7.474316D-04
                  2.406481D+03          -2.049271D-03
                  9.972584D+02          -5.885203D-03
                  4.339289D+02          -1.226885D-02
                  1.962869D+02          -2.683147D-02
                  9.104280D+01          -2.479261D-02
                  4.138425D+01          -5.984746D-03
                  1.993278D+01           1.557124D-01
                  9.581891D+00           1.436683D-01
                  4.234516D+00           8.374103D-03
                  1.985814D+00          -7.460711D-01
                  8.670830D-01           1.244367D-01
                  1.813390D-01           1.510110D+00
                  8.365700D-02          -3.477122D-01
                  3.626700D-02          -9.774169D-01
            S    1   1.00
                  3.626700D-02           1.000000D+00
            S    1   1.00
                  1.572000D-02           1.000000D+00
            P    16   1.00
                  2.276057D+04           4.000000D-05
                  5.387679D+03           3.610000D-04
                  1.749945D+03           2.083000D-03
                  6.696653D+02           9.197000D-03
                  2.841948D+02           3.266000D-02
                  1.296077D+02           9.379500D-02
                  6.225415D+01           2.082740D-01
                  3.092964D+01           3.339930D-01
                  1.575827D+01           3.324930D-01
                  8.094211D+00           1.547280D-01
                  4.046921D+00           2.127100D-02
                  1.967869D+00          -1.690000D-03
                  9.252950D-01          -1.516000D-03
                  3.529920D-01          -2.420000D-04
                  1.273070D-01           2.300000D-05
                  4.435600D-02          -9.000000D-06
            P    16   1.00
                  2.276057D+04          -1.500000D-05
                  5.387679D+03          -1.310000D-04
                  1.749945D+03          -7.550000D-04
                  6.696653D+02          -3.359000D-03
                  2.841948D+02          -1.208100D-02
                  1.296077D+02          -3.570300D-02
                  6.225415D+01          -8.250200D-02
                  3.092964D+01          -1.398900D-01
                  1.575827D+01          -1.407290D-01
                  8.094211D+00           3.876600D-02
                  4.046921D+00           3.426950D-01
                  1.967869D+00           4.523100D-01
                  9.252950D-01           2.770540D-01
                  3.529920D-01           4.388500D-02
                  1.273070D-01          -2.802000D-03
                  4.435600D-02           1.152000D-03
            P    16   1.00
                  2.276057D+04           3.000000D-06
                  5.387679D+03           2.500000D-05
                  1.749945D+03           1.470000D-04
                  6.696653D+02           6.560000D-04
                  2.841948D+02           2.351000D-03
                  1.296077D+02           7.004000D-03
                  6.225415D+01           1.613100D-02
                  3.092964D+01           2.777000D-02
                  1.575827D+01           2.756700D-02
                  8.094211D+00          -1.011500D-02
                  4.046921D+00          -8.100900D-02
                  1.967869D+00          -1.104090D-01
                  9.252950D-01          -7.173200D-02
                  3.529920D-01           1.879300D-01
                  1.273070D-01           5.646290D-01
                  4.435600D-02           4.070000D-01
            P    16   1.00
                  2.276057D+04           5.000000D-06
                  5.387679D+03           4.900000D-05
                  1.749945D+03           2.780000D-04
                  6.696653D+02           1.253000D-03
                  2.841948D+02           4.447000D-03
                  1.296077D+02           1.337000D-02
                  6.225415D+01           3.046900D-02
                  3.092964D+01           5.344700D-02
                  1.575827D+01           5.263900D-02
                  8.094211D+00          -1.688100D-02
                  4.046921D+00          -1.794480D-01
                  1.967869D+00          -2.095880D-01
                  9.252950D-01          -3.963300D-02
                  3.529920D-01           5.021300D-01
                  1.273070D-01           5.811110D-01
                  4.435600D-02           4.566600D-02
            P    1   1.00
                  4.435600D-02           1.000000D+00
            P    1   1.00
                  1.545000D-02           1.000000D+00
            D    8   1.00
                  1.738970D+02           2.700000D-03
                  5.188690D+01           2.090900D-02
                  1.934190D+01           8.440800D-02
                  7.975720D+00           2.139990D-01
                  3.398230D+00           3.359800D-01
                  1.409320D+00           3.573010D-01
                  5.488580D-01           2.645780D-01
                  1.901990D-01           1.039720D-01
            D    8   1.00
                  1.738970D+02          -3.363000D-03
                  5.188690D+01          -2.607900D-02
                  1.934190D+01          -1.082310D-01
                  7.975720D+00          -2.822170D-01
                  3.398230D+00          -3.471900D-01
                  1.409320D+00           2.671100D-02
                  5.488580D-01           4.920470D-01
                  1.901990D-01           4.384220D-01
            D    1   1.00
                  1.901990D-01           1.000000D+00
            D    1   1.00
                  6.591000D-02           1.000000D+00
            F    2   1.00
                  5.028600D+00           4.242800D-01
                  1.259400D+00           7.630250D-01
            F    1   1.00
                  4.617200D-01           1.000000D+00
            ****
            -Zn     0
            S    20   1.00
                  5.820021D+06           8.549241D-06
                  8.715234D+05           6.647410D-05
                  1.983350D+05           3.494962D-04
                  5.617631D+04           1.473832D-03
                  1.832582D+04           5.338330D-03
                  6.614955D+03           1.712708D-02
                  2.579199D+03           4.894085D-02
                  1.068849D+03           1.217934D-01
                  4.651045D+02           2.476589D-01
                  2.104130D+02           3.582431D-01
                  9.761629D+01           2.798174D-01
                  4.438020D+01           6.857491D-02
                  2.142308D+01          -1.311092D-03
                  1.030891D+01           1.914001D-03
                  4.553645D+00          -8.759220D-04
                  2.132821D+00           3.740096D-04
                  9.296970D-01          -1.401399D-04
                  1.921470D-01           4.757132D-05
                  8.759500D-02          -3.642711D-05
                  3.770200D-02           1.153248D-05
            S    20   1.00
                  5.820021D+06          -2.640069D-06
                  8.715234D+05          -2.052720D-05
                  1.983350D+05          -1.079859D-04
                  5.617631D+04          -4.558577D-04
                  1.832582D+04          -1.657758D-03
                  6.614955D+03          -5.368492D-03
                  2.579199D+03          -1.571249D-02
                  1.068849D+03          -4.122558D-02
                  4.651045D+02          -9.406459D-02
                  2.104130D+02          -1.719954D-01
                  9.761629D+01          -1.958523D-01
                  4.438020D+01           4.532907D-02
                  2.142308D+01           5.244442D-01
                  1.030891D+01           5.006142D-01
                  4.553645D+00           8.945527D-02
                  2.132821D+00          -2.146262D-03
                  9.296970D-01           2.112113D-03
                  1.921470D-01          -4.133980D-04
                  8.759500D-02           3.209752D-04
                  3.770200D-02          -1.016140D-04
            S    20   1.00
                  5.820021D+06           9.967103D-07
                  8.715234D+05           7.754163D-06
                  1.983350D+05           4.076019D-05
                  5.617631D+04           1.722811D-04
                  1.832582D+04           6.259370D-04
                  6.614955D+03           2.032855D-03
                  2.579199D+03           5.954646D-03
                  1.068849D+03           1.576640D-02
                  4.651045D+02           3.637638D-02
                  2.104130D+02           6.892343D-02
                  9.761629D+01           8.238093D-02
                  4.438020D+01          -2.011360D-02
                  2.142308D+01          -3.252526D-01
                  1.030891D+01          -4.602899D-01
                  4.553645D+00           1.635546D-01
                  2.132821D+00           7.297118D-01
                  9.296970D-01           3.769751D-01
                  1.921470D-01           1.433224D-02
                  8.759500D-02          -6.671210D-03
                  3.770200D-02           1.766214D-03
            S    20   1.00
                  5.820021D+06           1.995818D-07
                  8.715234D+05           1.552973D-06
                  1.983350D+05           8.161259D-06
                  5.617631D+04           3.450747D-05
                  1.832582D+04           1.253275D-04
                  6.614955D+03           4.072990D-04
                  2.579199D+03           1.192734D-03
                  1.068849D+03           3.163140D-03
                  4.651045D+02           7.303942D-03
                  2.104130D+02           1.391279D-02
                  9.761629D+01           1.670620D-02
                  4.438020D+01          -4.035586D-03
                  2.142308D+01          -6.968861D-02
                  1.030891D+01          -1.030105D-01
                  4.553645D+00           4.471442D-02
                  2.132821D+00           2.150027D-01
                  9.296970D-01           2.220163D-01
                  1.921470D-01          -3.114776D-01
                  8.759500D-02          -5.693429D-01
                  3.770200D-02          -2.678440D-01
            S    20   1.00
                  5.820021D+06          -5.435910D-07
                  8.715234D+05          -4.336894D-06
                  1.983350D+05          -2.197572D-05
                  5.617631D+04          -9.747392D-05
                  1.832582D+04          -3.331615D-04
                  6.614955D+03          -1.166192D-03
                  2.579199D+03          -3.119308D-03
                  1.068849D+03          -9.239504D-03
                  4.651045D+02          -1.855471D-02
                  2.104130D+02          -4.281189D-02
                  9.761629D+01          -3.571095D-02
                  4.438020D+01          -1.638350D-02
                  2.142308D+01           2.644664D-01
                  1.030891D+01           2.086588D-01
                  4.553645D+00          -1.774382D-02
                  2.132821D+00          -1.353873D+00
                  9.296970D-01           8.182926D-01
                  1.921470D-01           1.695036D+00
                  8.759500D-02          -1.388656D+00
                  3.770200D-02          -2.188900D-01
            S    1   1.00
                  3.770200D-02           1.000000D+00
            S    1   1.00
                  1.623000D-02           1.000000D+00
            P    16   1.00
                  2.441198D+04          -1.500000D-05
                  5.778518D+03          -1.350000D-04
                  1.876862D+03          -7.820000D-04
                  7.182361D+02          -3.478000D-03
                  3.048327D+02          -1.252000D-02
                  1.390453D+02          -3.701600D-02
                  6.680417D+01          -8.555900D-02
                  3.320699D+01          -1.447180D-01
                  1.692816D+01          -1.434420D-01
                  8.696229D+00           4.359500D-02
                  4.350510D+00           3.488880D-01
                  2.116523D+00           4.538650D-01
                  9.953870D-01           2.685940D-01
                  3.781120D-01           3.886800D-02
                  1.345790D-01          -2.492000D-03
                  4.628200D-02           1.014000D-03
            P    16   1.00
                  2.441198D+04           3.000000D-06
                  5.778518D+03           2.500000D-05
                  1.876862D+03           1.440000D-04
                  7.182361D+02           6.450000D-04
                  3.048327D+02           2.311000D-03
                  1.390453D+02           6.898000D-03
                  6.680417D+01           1.588200D-02
                  3.320699D+01           2.735000D-02
                  1.692816D+01           2.662100D-02
                  8.696229D+00          -1.085800D-02
                  4.350510D+00          -7.985300D-02
                  2.116523D+00          -1.061270D-01
                  9.953870D-01          -6.888300D-02
                  3.781120D-01           1.843850D-01
                  1.345790D-01           5.617880D-01
                  4.628200D-02           4.144160D-01
            P    16   1.00
                  2.441198D+04           5.000000D-06
                  5.778518D+03           4.200000D-05
                  1.876862D+03           2.380000D-04
                  7.182361D+02           1.088000D-03
                  3.048327D+02           3.821000D-03
                  1.390453D+02           1.164400D-02
                  6.680417D+01           2.616700D-02
                  3.320699D+01           4.675000D-02
                  1.692816D+01           4.330900D-02
                  8.696229D+00          -1.342900D-02
                  4.350510D+00          -1.538970D-01
                  2.116523D+00          -1.674130D-01
                  9.953870D-01          -8.499500D-02
                  3.781120D-01           4.508130D-01
                  1.345790D-01           6.408690D-01
                  4.628200D-02           5.417200D-02
            P    15   1.00
                  2.441198D+04           4.100000D-05
                  5.778518D+03           3.610000D-04
                  1.876862D+03           2.088000D-03
                  7.182361D+02           9.221000D-03
                  3.048327D+02           3.277300D-02
                  1.390453D+02           9.417900D-02
                  6.680417D+01           2.091320D-01
                  3.320699D+01           3.345690D-01
                  1.692816D+01           3.303590D-01
                  8.696229D+00           1.523470D-01
                  4.350510D+00           2.298400D-02
                  2.116523D+00           1.607000D-03
                  9.953870D-01           4.680000D-04
                  3.781120D-01           6.600000D-05
                  1.345790D-01          -2.000000D-06
            P    1   1.00
                  4.628200D-02           1.000000D+00
            P    1   1.00
                  1.592000D-02           1.000000D+00
            D    8   1.00
                  2.056177D+02           2.342000D-03
                  6.144981D+01           1.860600D-02
                  2.305689D+01           7.710200D-02
                  9.577739D+00           2.020260D-01
                  4.133734D+00           3.294540D-01
                  1.747518D+00           3.609760D-01
                  6.995600D-01           2.716570D-01
                  2.516080D-01           1.049810D-01
            D    8   1.00
                  2.056177D+02           3.279000D-03
                  6.144981D+01           2.617600D-02
                  2.305689D+01           1.113670D-01
                  9.577739D+00           3.045810D-01
                  4.133734D+00           3.862990D-01
                  1.747518D+00          -5.837500D-02
                  6.995600D-01          -5.388760D-01
                  2.516080D-01          -3.454730D-01
            D    1   1.00
                  2.516080D-01           1.000000D+00
            D    1   1.00
                  9.049000D-02           1.000000D+00
            F    2   1.00
                  5.734400D+00           4.311320D-01
                  1.461500D+00           7.546420D-01
            F    1   1.00
                  5.486100D-01           1.000000D+00
            ****
            -Ga     0
            S    14   1.00
                  4.851300D+05           2.068000D-04
                  7.271900D+04           1.604700D-03
                  1.655200D+04           8.340200D-03
                  4.687800D+03           3.402480D-02
                  1.529100D+03           1.111699D-01
                  5.518100D+02           2.753930D-01
                  2.151800D+02           4.212628D-01
                  8.817400D+01           2.738906D-01
                  2.715400D+01           2.837200D-02
                  1.150300D+01          -6.293100D-03
                  3.301800D+00           2.060600D-03
                  1.331400D+00          -9.269000D-04
                  1.931600D-01           2.273000D-04
                  7.089500D-02          -1.063000D-04
            S    14   1.00
                  4.851300D+05          -6.430000D-05
                  7.271900D+04          -4.954000D-04
                  1.655200D+04          -2.620800D-03
                  4.687800D+03          -1.068390D-02
                  1.529100D+03          -3.741230D-02
                  5.518100D+02          -1.009636D-01
                  2.151800D+02          -2.145141D-01
                  8.817400D+01          -1.752297D-01
                  2.715400D+01           4.831599D-01
                  1.150300D+01           6.323677D-01
                  3.301800D+00           6.849420D-02
                  1.331400D+00          -1.187120D-02
                  1.931600D-01           2.665200D-03
                  7.089500D-02          -1.225100D-03
            S    14   1.00
                  4.851300D+05           2.450000D-05
                  7.271900D+04           1.895000D-04
                  1.655200D+04           9.964000D-04
                  4.687800D+03           4.108200D-03
                  1.529100D+03           1.429380D-02
                  5.518100D+02           3.980340D-02
                  2.151800D+02           8.559400D-02
                  8.817400D+01           7.963050D-02
                  2.715400D+01          -2.939107D-01
                  1.150300D+01          -5.263914D-01
                  3.301800D+00           5.864249D-01
                  1.331400D+00           6.726347D-01
                  1.931600D-01           2.761230D-02
                  7.089500D-02          -9.365100D-03
            S    14   1.00
                  4.851300D+05          -5.700000D-06
                  7.271900D+04          -4.400000D-05
                  1.655200D+04          -2.305000D-04
                  4.687800D+03          -9.544000D-04
                  1.529100D+03          -3.305500D-03
                  5.518100D+02          -9.288800D-03
                  2.151800D+02          -1.986440D-02
                  8.817400D+01          -1.908880D-02
                  2.715400D+01           7.323560D-02
                  1.150300D+01           1.341526D-01
                  3.301800D+00          -1.831929D-01
                  1.331400D+00          -3.571308D-01
                  1.931600D-01           6.246013D-01
                  7.089500D-02           5.238430D-01
            S    1   1.00
                  7.089500D-02           1.000000D+00
            S    1   1.00
                  0.0243480              1.0000000
            P    11   1.00
                  3.248600D+03           1.526000D-03
                  7.699700D+02           1.274860D-02
                  2.482000D+02           6.337420D-02
                  9.336400D+01           2.065775D-01
                  3.825100D+01           4.092963D-01
                  1.642200D+01           3.919183D-01
                  6.791800D+00           1.029441D-01
                  2.833600D+00          -7.203000D-04
                  1.106200D+00           2.095000D-03
                  2.225000D-01          -3.290000D-04
                  6.177200D-02           1.162000D-04
            P    11   1.00
                  3.248600D+03          -5.803000D-04
                  7.699700D+02          -4.864700D-03
                  2.482000D+02          -2.483940D-02
                  9.336400D+01          -8.417590D-02
                  3.825100D+01          -1.800885D-01
                  1.642200D+01          -1.585555D-01
                  6.791800D+00           2.355376D-01
                  2.833600D+00           5.820587D-01
                  1.106200D+00           3.366619D-01
                  2.225000D-01           1.719120D-02
                  6.177200D-02          -3.326500D-03
            P    11   1.00
                  3.248600D+03           9.500000D-05
                  7.699700D+02           7.832000D-04
                  2.482000D+02           4.085500D-03
                  9.336400D+01           1.359870D-02
                  3.825100D+01           3.026950D-02
                  1.642200D+01           2.417900D-02
                  6.791800D+00          -4.237770D-02
                  2.833600D+00          -1.265661D-01
                  1.106200D+00          -4.994440D-02
                  2.225000D-01           4.494199D-01
                  6.177200D-02           6.718899D-01
            P    1   1.00
                  6.177200D-02           1.000000D+00
            P    1   1.00
                  0.0151640              1.0000000
            D    5   1.00
                  6.533700D+01           2.738250D-02
                  1.849700D+01           1.510805D-01
                  6.315000D+00           3.749217D-01
                  2.163500D+00           4.750799D-01
                  6.667500D-01           2.982750D-01
            D    1   1.00
                  1.884000D-01           1.000000D+00
            D    1   1.00
                  0.0537000              1.0000000
            ****
            -Ge     0
            S    14   1.00
                  5.218000D+05           2.045000D-04
                  7.821400D+04           1.586800D-03
                  1.780300D+04           8.248000D-03
                  5.041900D+03           3.366490D-02
                  1.644500D+03           1.101249D-01
                  5.934300D+02           2.735607D-01
                  2.313600D+02           4.210670D-01
                  9.476200D+01           2.766791D-01
                  2.927400D+01           2.921800D-02
                  1.245000D+01          -6.590300D-03
                  3.646300D+00           2.243000D-03
                  1.502500D+00          -1.038200D-03
                  2.450300D-01           2.695000D-04
                  9.159400D-02          -1.228000D-04
            S    14   1.00
                  5.218000D+05          -6.380000D-05
                  7.821400D+04          -4.916000D-04
                  1.780300D+04          -2.600200D-03
                  5.041900D+03          -1.060800D-02
                  1.644500D+03          -3.716020D-02
                  5.934300D+02          -1.005790D-01
                  2.313600D+02          -2.143977D-01
                  9.476200D+01          -1.782617D-01
                  2.927400D+01           4.777404D-01
                  1.245000D+01           6.355983D-01
                  3.646300D+00           7.221740D-02
                  1.502500D+00          -1.272650D-02
                  2.450300D-01           2.960800D-03
                  9.159400D-02          -1.329200D-03
            S    14   1.00
                  5.218000D+05           2.460000D-05
                  7.821400D+04           1.900000D-04
                  1.780300D+04           9.993000D-04
                  5.041900D+03           4.120000D-03
                  1.644500D+03           1.435570D-02
                  5.934300D+02           4.003750D-02
                  2.313600D+02           8.657940D-02
                  9.476200D+01           8.158610D-02
                  2.927400D+01          -2.934770D-01
                  1.245000D+01          -5.367983D-01
                  3.646300D+00           5.637985D-01
                  1.502500D+00           6.947182D-01
                  2.450300D-01           3.157300D-02
                  9.159400D-02          -9.894900D-03
            S    14   1.00
                  5.218000D+05          -6.300000D-06
                  7.821400D+04          -4.860000D-05
                  1.780300D+04          -2.553000D-04
                  5.041900D+03          -1.056000D-03
                  1.644500D+03          -3.667400D-03
                  5.934300D+02          -1.030530D-02
                  2.313600D+02          -2.222000D-02
                  9.476200D+01          -2.152750D-02
                  2.927400D+01           8.067520D-02
                  1.245000D+01           1.524958D-01
                  3.646300D+00          -1.980528D-01
                  1.502500D+00          -4.073954D-01
                  2.450300D-01           6.477288D-01
                  9.159400D-02           5.222033D-01
            S    1   1.00
                  9.159400D-02           1.000000D+00
            S    1   1.00
                  0.0339610              1.0000000
            P    11   1.00
                  3.568100D+03           1.459100D-03
                  8.457200D+02           1.221760D-02
                  2.727400D+02           6.104900D-02
                  1.026800D+02           2.008039D-01
                  4.214800D+01           4.038942D-01
                  1.814900D+01           3.970027D-01
                  7.593400D+00           1.105481D-01
                  3.196400D+00           7.680000D-05
                  1.274300D+00           2.126300D-03
                  2.825800D-01          -3.744000D-04
                  8.409000D-02           1.321000D-04
            P    11   1.00
                  3.568100D+03          -5.630000D-04
                  8.457200D+02          -4.735400D-03
                  2.727400D+02          -2.426430D-02
                  1.026800D+02          -8.309000D-02
                  4.214800D+01          -1.800247D-01
                  1.814900D+01          -1.663295D-01
                  7.593400D+00           2.193717D-01
                  3.196400D+00           5.820239D-01
                  1.274300D+00           3.477720D-01
                  2.825800D-01           1.924550D-02
                  8.409000D-02          -3.482500D-03
            P    11   1.00
                  3.568100D+03           1.115000D-04
                  8.457200D+02           9.212000D-04
                  2.727400D+02           4.827300D-03
                  1.026800D+02           1.622720D-02
                  4.214800D+01           3.663540D-02
                  1.814900D+01           3.078670D-02
                  7.593400D+00          -4.806430D-02
                  3.196400D+00          -1.559804D-01
                  1.274300D+00          -6.323700D-02
                  2.825800D-01           5.040819D-01
                  8.409000D-02           6.182200D-01
            P    1   1.00
                  8.409000D-02           1.000000D+00
            P    1   1.00
                  0.0239450              1.0000000
            D    5   1.00
                  7.476200D+01           2.576840D-02
                  2.130200D+01           1.454421D-01
                  7.343600D+00           3.713721D-01
                  2.565100D+00           4.800002D-01
                  8.197000D-01           2.896800D-01
            D    1   1.00
                  2.470000D-01           1.000000D+00
            D    1   1.00
                  0.0771000              1.0000000
            ****
            -As     0
            S    14   1.00
                  5.595838D+05           2.024000D-04
                  8.387933D+04           1.570900D-03
                  1.909267D+04           8.166200D-03
                  5.407392D+03           3.333990D-02
                  1.763756D+03           1.091726D-01
                  6.364567D+02           2.718853D-01
                  2.480884D+02           4.208509D-01
                  1.015785D+02           2.792257D-01
                  3.147551D+01           3.003010D-02
                  1.343728D+01          -6.880400D-03
                  4.008690D+00           2.424000D-03
                  1.684929D+00          -1.149100D-03
                  3.000190D-01           3.095000D-04
                  1.135870D-01          -1.377000D-04
            S    14   1.00
                  5.595838D+05          -6.340000D-05
                  8.387933D+04          -4.883000D-04
                  1.909267D+04          -2.582100D-03
                  5.407392D+03          -1.054020D-02
                  1.763756D+03          -3.693250D-02
                  6.364567D+02          -1.002355D-01
                  2.480884D+02          -2.142948D-01
                  1.015785D+02          -1.810526D-01
                  3.147551D+01           4.725410D-01
                  1.343728D+01           6.386194D-01
                  4.008690D+00           7.581070D-02
                  1.684929D+00          -1.352780D-02
                  3.000190D-01           3.197000D-03
                  1.135870D-01          -1.405600D-03
            S    14   1.00
                  5.595838D+05           2.460000D-05
                  8.387933D+04           1.907000D-04
                  1.909267D+04           1.003100D-03
                  5.407392D+03           4.135300D-03
                  1.763756D+03           1.442590D-02
                  6.364567D+02           4.029620D-02
                  2.480884D+02           8.756700D-02
                  1.015785D+02           8.351780D-02
                  3.147551D+01          -2.932935D-01
                  1.343728D+01          -5.470520D-01
                  4.008690D+00           5.438738D-01
                  1.684929D+00           7.143591D-01
                  3.000190D-01           3.534430D-02
                  1.135870D-01          -1.028920D-02
            S    14   1.00
                  5.595838D+05          -6.800000D-06
                  8.387933D+04          -5.250000D-05
                  1.909267D+04          -2.756000D-04
                  5.407392D+03          -1.138900D-03
                  1.763756D+03          -3.964600D-03
                  6.364567D+02          -1.114230D-02
                  2.480884D+02          -2.419910D-02
                  1.015785D+02          -2.363390D-02
                  3.147551D+01           8.663170D-02
                  1.343728D+01           1.685839D-01
                  4.008690D+00          -2.091425D-01
                  1.684929D+00          -4.500918D-01
                  3.000190D-01           6.603978D-01
                  1.135870D-01           5.284152D-01
            S    1   1.00
                  1.135870D-01           1.000000D+00
            S    1   1.00
                  0.0411520              1.0000000
            P    11   1.00
                  3.886356D+03           1.409700D-03
                  9.212020D+02           1.182770D-02
                  2.971932D+02           5.932800D-02
                  1.119751D+02           1.965115D-01
                  4.603462D+01           3.997891D-01
                  1.987419D+01           4.004653D-01
                  8.386088D+00           1.164196D-01
                  3.558728D+00           6.918000D-04
                  1.447282D+00           2.163300D-03
                  3.477790D-01          -4.150000D-04
                  1.076990D-01           1.452000D-04
            P    11   1.00
                  3.886356D+03          -5.519000D-04
                  9.212020D+02          -4.655000D-03
                  2.971932D+02          -2.391760D-02
                  1.119751D+02          -8.256270D-02
                  4.603462D+01          -1.806791D-01
                  1.987419D+01          -1.724848D-01
                  8.386088D+00           2.086700D-01
                  3.558728D+00           5.823622D-01
                  1.447282D+00           3.537465D-01
                  3.477790D-01           2.064390D-02
                  1.076990D-01          -3.638200D-03
            P    11   1.00
                  3.886356D+03           1.236000D-04
                  9.212020D+02           1.024000D-03
                  2.971932D+02           5.380500D-03
                  1.119751D+02           1.824430D-02
                  4.603462D+01           4.159790D-02
                  1.987419D+01           3.629980D-02
                  8.386088D+00          -5.235690D-02
                  3.558728D+00          -1.791667D-01
                  1.447282D+00          -7.404770D-02
                  3.477790D-01           5.358094D-01
                  1.076990D-01           5.888104D-01
            P    1   1.00
                  1.076990D-01           1.000000D+00
            P    1   1.00
                  0.0312680              1.0000000
            D    5   1.00
                  8.442423D+01           2.452880D-02
                  2.418159D+01           1.411340D-01
                  8.401777D+00           3.687579D-01
                  2.980502D+00           4.840626D-01
                  9.790030D-01           2.824434D-01
            D    1   1.00
                  3.098000D-01           1.000000D+00
            D    1   1.00
                  0.1078000              1.0000000
            ****
            -Se     0
            S    14   1.00
                  5.989900D+05           2.004000D-04
                  8.978300D+04           1.555400D-03
                  2.043500D+04           8.087200D-03
                  5.786900D+03           3.303440D-02
                  1.887300D+03           1.082924D-01
                  6.809700D+02           2.703361D-01
                  2.653900D+02           4.206236D-01
                  1.086300D+02           2.815922D-01
                  3.376000D+01           3.081100D-02
                  1.446500D+01          -7.161700D-03
                  4.389000D+00           2.602200D-03
                  1.878300D+00          -1.258300D-03
                  3.585900D-01           3.465000D-04
                  1.364900D-01          -1.503000D-04
            S    14   1.00
                  5.989900D+05          -6.290000D-05
                  8.978300D+04          -4.850000D-04
                  2.043500D+04          -2.564400D-03
                  5.786900D+03          -1.047610D-02
                  1.887300D+03          -3.672230D-02
                  6.809700D+02          -9.992250D-02
                  2.653900D+02          -2.141973D-01
                  1.086300D+02          -1.836593D-01
                  3.376000D+01           4.675454D-01
                  1.446500D+01           6.414740D-01
                  4.389000D+00           7.925690D-02
                  1.878300D+00          -1.426970D-02
                  3.585900D-01           3.379200D-03
                  1.364900D-01          -1.453700D-03
            S    14   1.00
                  5.989900D+05           2.470000D-05
                  8.978300D+04           1.913000D-04
                  2.043500D+04           1.006800D-03
                  5.786900D+03           4.151400D-03
                  1.887300D+03           1.449910D-02
                  6.809700D+02           4.056580D-02
                  2.653900D+02           8.853640D-02
                  1.086300D+02           8.542120D-02
                  3.376000D+01          -2.932581D-01
                  1.446500D+01          -5.570727D-01
                  4.389000D+00           5.261436D-01
                  1.878300D+00           7.320371D-01
                  3.585900D-01           3.882460D-02
                  1.364900D-01          -1.050360D-02
            S    14   1.00
                  5.989900D+05          -7.200000D-06
                  8.978300D+04          -5.590000D-05
                  2.043500D+04          -2.938000D-04
                  5.786900D+03          -1.213600D-03
                  1.887300D+03          -4.234000D-03
                  6.809700D+02          -1.190350D-02
                  2.653900D+02          -2.602060D-02
                  1.086300D+02          -2.561480D-02
                  3.376000D+01           9.194270D-02
                  1.446500D+01           1.838700D-01
                  4.389000D+00          -2.188461D-01
                  1.878300D+00          -4.896524D-01
                  3.585900D-01           6.775818D-01
                  1.364900D-01           5.296721D-01
            S    1   1.00
                  1.364900D-01           1.000000D+00
            S    1   1.00
                  0.0487470              1.0000000
            P    11   1.00
                  4.135600D+03           1.412700D-03
                  9.803400D+02           1.185880D-02
                  3.163500D+02           5.951530D-02
                  1.192500D+02           1.972201D-01
                  4.906800D+01           4.007439D-01
                  2.121200D+01           3.994740D-01
                  8.946200D+00           1.153364D-01
                  3.823600D+00           2.219000D-04
                  1.588300D+00           2.283800D-03
                  4.096900D-01          -4.756000D-04
                  1.245900D-01           1.516000D-04
            P    11   1.00
                  4.135600D+03          -5.610000D-04
                  9.803400D+02          -4.734000D-03
                  3.163500D+02          -2.435040D-02
                  1.192500D+02          -8.410710D-02
                  4.906800D+01          -1.841384D-01
                  2.121200D+01          -1.735004D-01
                  8.946200D+00           2.167263D-01
                  3.823600D+00           5.850099D-01
                  1.588300D+00           3.416816D-01
                  4.096900D-01           1.991250D-02
                  1.245900D-01          -2.613100D-03
            P    11   1.00
                  4.135600D+03           1.366000D-04
                  9.803400D+02           1.130800D-03
                  3.163500D+02           5.958100D-03
                  1.192500D+02           2.018660D-02
                  4.906800D+01           4.619390D-02
                  2.121200D+01           3.940500D-02
                  8.946200D+00          -5.928460D-02
                  3.823600D+00          -2.014663D-01
                  1.588300D+00          -6.878210D-02
                  4.096900D-01           5.595944D-01
                  1.245900D-01           5.709784D-01
            P    1   1.00
                  1.245900D-01           1.000000D+00
            P    1   1.00
                  0.0354920              1.0000000
            D    5   1.00
                  9.447200D+01           2.349820D-02
                  2.718000D+01           1.375183D-01
                  9.506800D+00           3.664824D-01
                  3.416800D+00           4.874717D-01
                  1.147900D+00           2.765769D-01
            D    1   1.00
                  3.682000D-01           1.000000D+00
            D    1   1.00
                  0.1283000              1.0000000
            ****
            -Br     0
            S    14   1.00
                  6.401000D+05           1.984000D-04
                  9.593800D+04           1.540000D-03
                  2.183300D+04           8.009600D-03
                  6.181900D+03           3.273410D-02
                  2.015700D+03           1.074480D-01
                  7.271000D+02           2.688946D-01
                  2.832800D+02           4.204411D-01
                  1.159100D+02           2.838041D-01
                  3.612400D+01           3.154550D-02
                  1.553200D+01          -7.426800D-03
                  4.785700D+00           2.772800D-03
                  2.081700D+00          -1.363500D-03
                  4.202800D-01           3.812000D-04
                  1.606900D-01          -1.615000D-04
            S    14   1.00
                  6.401000D+05          -6.250000D-05
                  9.593800D+04          -4.816000D-04
                  2.183300D+04          -2.546600D-03
                  6.181900D+03          -1.041120D-02
                  2.015700D+03          -3.651790D-02
                  7.271000D+02          -9.962950D-02
                  2.832800D+02          -2.141310D-01
                  1.159100D+02          -1.860911D-01
                  3.612400D+01           4.628261D-01
                  1.553200D+01           6.441141D-01
                  4.785700D+00           8.255020D-02
                  2.081700D+00          -1.496940D-02
                  4.202800D-01           3.528800D-03
                  1.606900D-01          -1.490900D-03
            S    14   1.00
                  6.401000D+05           2.480000D-05
                  9.593800D+04           1.919000D-04
                  2.183300D+04           1.010000D-03
                  6.181900D+03           4.165900D-03
                  2.015700D+03           1.456830D-02
                  7.271000D+02           4.083450D-02
                  2.832800D+02           8.948590D-02
                  1.159100D+02           8.727860D-02
                  3.612400D+01          -2.933644D-01
                  1.553200D+01          -5.667109D-01
                  4.785700D+00           5.105658D-01
                  2.081700D+00           7.477214D-01
                  4.202800D-01           4.215120D-02
                  1.606900D-01          -1.066120D-02
            S    14   1.00
                  6.401000D+05          -7.600000D-06
                  9.593800D+04          -5.880000D-05
                  2.183300D+04          -3.092000D-04
                  6.181900D+03          -1.276600D-03
                  2.015700D+03          -4.463400D-03
                  7.271000D+02          -1.255750D-02
                  2.832800D+02          -2.761450D-02
                  1.159100D+02          -2.739450D-02
                  3.612400D+01           9.640940D-02
                  1.553200D+01           1.976871D-01
                  4.785700D+00          -2.266693D-01
                  2.081700D+00          -5.241165D-01
                  4.202800D-01           6.889865D-01
                  1.606900D-01           5.344331D-01
            S    1   1.00
                  1.606900D-01           1.000000D+00
            S    1   1.00
                  0.0569460              1.0000000
            P    11   1.00
                  4.340800D+03           1.444800D-03
                  1.028900D+03           1.212880D-02
                  3.320200D+02           6.080770D-02
                  1.251600D+02           2.009358D-01
                  5.151100D+01           4.047419D-01
                  2.228100D+01           3.957151D-01
                  9.341700D+00           1.102213D-01
                  4.013200D+00          -9.090000D-04
                  1.700200D+00           2.483200D-03
                  4.719400D-01          -5.744000D-04
                  1.442100D-01           1.691000D-04
            P    11   1.00
                  4.340800D+03          -5.819000D-04
                  1.028900D+03          -4.906500D-03
                  3.320200D+02          -2.525140D-02
                  1.251600D+02          -8.694450D-02
                  5.151100D+01          -1.893422D-01
                  2.228100D+01          -1.710882D-01
                  9.341700D+00           2.368755D-01
                  4.013200D+00           5.898400D-01
                  1.700200D+00           3.171944D-01
                  4.719400D-01           1.798330D-02
                  1.442100D-01          -1.468300D-03
            P    11   1.00
                  4.340800D+03           1.518000D-04
                  1.028900D+03           1.256300D-03
                  3.320200D+02           6.622400D-03
                  1.251600D+02           2.238160D-02
                  5.151100D+01           5.097170D-02
                  2.228100D+01           4.140090D-02
                  9.341700D+00          -7.039700D-02
                  4.013200D+00          -2.232540D-01
                  1.700200D+00          -5.641790D-02
                  4.719400D-01           5.808079D-01
                  1.442100D-01           5.508132D-01
            P    1   1.00
                  1.442100D-01           1.000000D+00
            P    1   1.00
                  0.0410490              1.0000000
            D    5   1.00
                  1.048300D+02           2.265830D-02
                  3.027200D+01           1.345895D-01
                  1.064900D+01           3.647181D-01
                  3.869600D+00           4.904196D-01
                  1.323900D+00           2.713885D-01
            D    1   1.00
                  4.098000D-01           1.000000D+00
            D    1   1.00
                  0.1719000              1.0000000
            ****
            -Kr     0
            S    14   1.00
                  6.813588D+05           1.969000D-04
                  1.021265D+05           1.528600D-03
                  2.324371D+04           7.950000D-03
                  6.582007D+03           3.249380D-02
                  2.146429D+03           1.067240D-01
                  7.743378D+02           2.675701D-01
                  3.016702D+02           4.201851D-01
                  1.234118D+02           2.858015D-01
                  3.856755D+01           3.224610D-02
                  1.663738D+01          -7.682800D-03
                  5.198795D+00           2.939300D-03
                  2.294814D+00          -1.466200D-03
                  4.852110D-01           4.144000D-04
                  1.862700D-01          -1.720000D-04
            S    14   1.00
                  6.813588D+05          -6.220000D-05
                  1.021265D+05          -4.794000D-04
                  2.324371D+04          -2.534100D-03
                  6.582007D+03          -1.036360D-02
                  2.146429D+03          -3.635160D-02
                  7.743378D+02          -9.937370D-02
                  3.016702D+02          -2.140610D-01
                  1.234118D+02          -1.883192D-01
                  3.856755D+01           4.583816D-01
                  1.663738D+01           6.465664D-01
                  5.198795D+00           8.565790D-02
                  2.294814D+00          -1.561230D-02
                  4.852110D-01           3.649000D-03
                  1.862700D-01          -1.518900D-03
            S    14   1.00
                  6.813588D+05           2.490000D-05
                  1.021265D+05           1.928000D-04
                  2.324371D+04           1.014900D-03
                  6.582007D+03           4.185700D-03
                  2.146429D+03           1.464590D-02
                  7.743378D+02           4.110700D-02
                  3.016702D+02           9.039550D-02
                  1.234118D+02           8.906230D-02
                  3.856755D+01          -2.935718D-01
                  1.663738D+01          -5.759698D-01
                  5.198795D+00           4.968578D-01
                  2.294814D+00           7.616895D-01
                  4.852110D-01           4.532670D-02
                  1.862700D-01          -1.077220D-02
            S    14   1.00
                  6.813588D+05          -7.900000D-06
                  1.021265D+05          -6.140000D-05
                  2.324371D+04          -3.230000D-04
                  6.582007D+03          -1.333000D-03
                  2.146429D+03          -4.667200D-03
                  7.743378D+02          -1.313520D-02
                  3.016702D+02          -2.903420D-02
                  1.234118D+02          -2.901730D-02
                  3.856755D+01           1.002664D-01
                  1.663738D+01           2.103818D-01
                  5.198795D+00          -2.332471D-01
                  2.294814D+00          -5.546497D-01
                  4.852110D-01           6.969522D-01
                  1.862700D-01           5.408152D-01
            S    1   1.00
                  1.862700D-01           1.000000D+00
            S    1   1.00
                  0.0651450              1.0000000
            P    11   1.00
                  4.474270D+03           1.519500D-03
                  1.060579D+03           1.274240D-02
                  3.422081D+02           6.364650D-02
                  1.289984D+02           2.085635D-01
                  5.308722D+01           4.122423D-01
                  2.295942D+01           3.878103D-01
                  9.507300D+00           1.003820D-01
                  4.083055D+00          -2.507800D-03
                  1.750446D+00           2.713900D-03
                  5.291900D-01          -6.977000D-04
                  1.643690D-01           2.107000D-04
            P    11   1.00
                  4.474270D+03          -6.208000D-04
                  1.060579D+03          -5.221200D-03
                  3.422081D+02          -2.684630D-02
                  1.289984D+02          -9.158230D-02
                  5.308722D+01          -1.968164D-01
                  2.295942D+01          -1.634750D-01
                  9.507300D+00           2.738204D-01
                  4.083055D+00           5.981592D-01
                  1.750446D+00           2.750453D-01
                  5.291900D-01           1.277060D-02
                  1.643690D-01          -1.013500D-03
            P    11   1.00
                  4.474270D+03           1.701000D-04
                  1.060579D+03           1.406400D-03
                  3.422081D+02           7.396300D-03
                  1.289984D+02           2.482540D-02
                  5.308722D+01           5.571550D-02
                  2.295942D+01           4.121320D-02
                  9.507300D+00          -8.760570D-02
                  4.083055D+00          -2.440586D-01
                  1.750446D+00          -2.950070D-02
                  5.291900D-01           6.012295D-01
                  1.643690D-01           5.254807D-01
            P    1   1.00
                  1.643690D-01           1.000000D+00
            P    1   1.00
                  0.0466060              1.0000000
            D    5   1.00
                  1.155253D+02           2.195570D-02
                  3.346525D+01           1.321620D-01
                  1.183046D+01           3.633484D-01
                  4.339771D+00           4.929582D-01
                  1.507524D+00           2.667560D-01
            D    1   1.00
                  5.030000D-01           1.000000D+00
            D    1   1.00
                  0.2155000              1.0000000
            ****
            -Y     0
            S    7   1.00
                 29.2935000              0.0066660
                 16.6827000             -0.0497340
                 10.4235000              0.1315590
                  3.0952600             -0.5243820
                  0.7079710              0.7863790
                  0.3225670              0.4639580
                  0.0690850              0.0204860
            S    7   1.00
                 29.2935000             -0.0013580
                 16.6827000              0.0123920
                 10.4235000             -0.0375720
                  3.0952600              0.1741090
                  0.7079710             -0.3385090
                  0.3225670             -0.3354170
                  0.0690850              0.6581470
            S    7   1.00
                 29.2935000              0.0112420
                 16.6827000             -0.0574010
                 10.4235000              0.1106480
                  3.0952600             -0.3769430
                  0.7079710              1.2026360
                  0.3225670             -0.4875820
                  0.0690850             -1.8636390
            S    1   1.00
                  0.0274150              1.0000000
            S    1   1.00
                  0.0109000              1.0000000
            P    6   1.00
                  9.0271500              0.0203960
                  4.0242700             -0.1536620
                  0.9906740              0.4320820
                  0.4727970              0.4983480
                  0.2197340              0.1957420
                  0.0800880              0.0140830
            P    6   1.00
                  9.0271500             -0.0056190
                  4.0242700              0.0465110
                  0.9906740             -0.1495270
                  0.4727970             -0.2243370
                  0.2197340             -0.0114700
                  0.0800880              0.6364970
            P    6   1.00
                  9.0271500              0.0111310
                  4.0242700             -0.0963010
                  0.9906740              0.2986850
                  0.4727970              0.8892190
                  0.2197340             -1.4854780
                  0.0800880             -0.1131120
            P    1   1.00
                  0.0306400              1.0000000
            P    1   1.00
                  0.0117000              1.0000000
            D    5   1.00
                  4.3045000             -0.0043910
                  1.3201900              0.1196820
                  0.5614050              0.2962740
                  0.2267020              0.3908730
                  0.0879490              0.3539610
            D    5   1.00
                  4.3045000              0.0044330
                  1.3201900             -0.1499100
                  0.5614050             -0.3732930
                  0.2267020             -0.3129870
                  0.0879490              0.4218970
            D    1   1.00
                  0.0323050              1.0000000
            D    1   1.00
                  0.0119000              1.0000000
            F    1   1.00
                  0.2028000              1.0000000
            F    1   1.00
                  0.0484000              1.0000000
            ****
            -Zr     0
            S    7   1.00
                 53.4460000              0.0014860
                 17.0981000             -0.0365920
                 10.6875000              0.1321550
                  3.3913400             -0.5464540
                  0.7884750              0.8022910
                  0.3599820              0.4583040
                  0.0777920              0.0203880
            S    7   1.00
                 53.4460000             -0.0003080
                 17.0981000              0.0096310
                 10.6875000             -0.0390430
                  3.3913400              0.1847170
                  0.7884750             -0.3584690
                  0.3599820             -0.3208280
                  0.0777920              0.6560480
            S    7   1.00
                 53.4460000              0.0028110
                 17.0981000             -0.0412920
                 10.6875000              0.1148910
                  3.3913400             -0.4348090
                  0.7884750              1.4174320
                  0.3599820             -0.7286190
                  0.0777920             -1.6769590
            S    1   1.00
                  0.0302340              1.0000000
            S    1   1.00
                  0.0118000              1.0000000
            P    6   1.00
                  9.9011600              0.0214360
                  4.4181900             -0.1604130
                  1.0931000              0.4543260
                  0.5187860              0.4991190
                  0.2363630              0.1777830
                  0.0847070              0.0104040
            P    6   1.00
                  9.9011600             -0.0058310
                  4.4181900              0.0481520
                  1.0931000             -0.1600800
                  0.5187860             -0.2201350
                  0.2363630              0.0355150
                  0.0847070              0.6181780
            P    6   1.00
                  9.9011600             -0.0078290
                  4.4181900              0.0660080
                  1.0931000             -0.2113740
                  0.5187860             -0.3575490
                  0.2363630              0.1703870
                  0.0847070              0.8518400
            P    1   1.00
                  0.0311380              1.0000000
            P    1   1.00
                  0.0114000              1.0000000
            D    5   1.00
                  4.3948700             -0.0082920
                  1.5708900              0.1278490
                  0.6923540              0.3219090
                  0.2904140              0.3998190
                  0.1158780              0.3194760
            D    5   1.00
                  4.3948700              0.0084760
                  1.5708900             -0.1579890
                  0.6923540             -0.3979000
                  0.2904140             -0.2555990
                  0.1158780              0.4914180
            D    1   1.00
                  0.0429250              1.0000000
            D    1   1.00
                  0.0159000              1.0000000
            F    1   1.00
                  0.3272000              1.0000000
            F    1   1.00
                  0.0891000              1.0000000
            ****
            -Nb     0
            S    7   1.00
                 80.8096000              0.0008890
                 17.9220000             -0.0347930
                 11.2050000              0.1389100
                  3.6990100             -0.5655680
                  0.8712090              0.8147210
                  0.3974440              0.4547970
                  0.0854690              0.0200510
            S    7   1.00
                 80.8096000             -0.0002000
                 17.9220000              0.0093020
                 11.2050000             -0.0414910
                  3.6990100              0.1923710
                  0.8712090             -0.3713520
                  0.3974440             -0.3068350
                  0.0854690              0.6546160
            S    7   1.00
                 80.8096000              0.0015640
                 17.9220000             -0.0382840
                 11.2050000              0.1209450
                  3.6990100             -0.4647790
                  0.8712090              1.5031600
                  0.3974440             -0.8262330
                  0.0854690             -1.5845850
            S    1   1.00
                  0.0326640              1.0000000
            S    1   1.00
                  0.0125000              1.0000000
            P    6   1.00
                 10.6457000              0.0234360
                  4.8235100             -0.1683110
                  1.2030900              0.4693810
                  0.5695080              0.4980520
                  0.2569700              0.1675400
                  0.0929460              0.0087660
            P    6   1.00
                 10.6457000             -0.0064960
                  4.8235100              0.0513810
                  1.2030900             -0.1706080
                  0.5695080             -0.2198720
                  0.2569700              0.0561670
                  0.0929460              0.6165950
            P    6   1.00
                 10.6457000             -0.0091300
                  4.8235100              0.0732300
                  1.2030900             -0.2370360
                  0.5695080             -0.3685640
                  0.2569700              0.2364390
                  0.0929460              0.8267330
            P    1   1.00
                  0.0338800              1.0000000
            P    1   1.00
                  0.0123000              1.0000000
            D    5   1.00
                  4.5456300             -0.0104650
                  1.8272300              0.1305530
                  0.8257640              0.3347580
                  0.3551560              0.4020270
                  0.1447240              0.3008350
            D    5   1.00
                  4.5456300              0.0105280
                  1.8272300             -0.1615000
                  0.8257640             -0.4113720
                  0.3551560             -0.2117820
                  0.1447240              0.4861590
            D    1   1.00
                  0.0543230              1.0000000
            D    1   1.00
                  0.0204000              1.0000000
            F    1   1.00
                  0.4690000              1.0000000
            F    1   1.00
                  0.1387000              1.0000000
            ****
            -Mo     0
            S    7   1.00
                106.9780000              0.0007350
                 18.8824000             -0.0350900
                 11.8077000              0.1473480
                  4.0211800             -0.5833630
                  0.9568160              0.8256350
                  0.4356920              0.4523110
                  0.0925180              0.0190550
            S    7   1.00
                106.9780000             -0.0001760
                 18.8824000              0.0093320
                 11.8077000             -0.0438110
                  4.0211800              0.1972320
                  0.9568160             -0.3773110
                  0.4356920             -0.2939670
                  0.0925180              0.6498330
            S    7   1.00
                106.9780000              0.0011660
                 18.8824000             -0.0376070
                 11.8077000              0.1259800
                  4.0211800             -0.4752370
                  0.9568160              1.4989830
                  0.4356920             -0.8223450
                  0.0925180             -1.5606240
            S    1   1.00
                  0.0348540              1.0000000
            S    1   1.00
                  0.0131000              1.0000000
            P    6   1.00
                 11.4118000              0.0253450
                  5.2453500             -0.1752130
                  1.3188400              0.4812720
                  0.6229830              0.4972610
                  0.2791080              0.1595550
                  0.1005260              0.0075430
            P    6   1.00
                 11.4118000             -0.0070220
                  5.2453500              0.0533390
                  1.3188400             -0.1756430
                  0.6229830             -0.2162130
                  0.2791080              0.0679580
                  0.1005260              0.6128160
            P    6   1.00
                 11.4118000             -0.0104200
                  5.2453500              0.0798670
                  1.3188400             -0.2629000
                  0.6229830             -0.3651840
                  0.2791080              0.2866730
                  0.1005260              0.8002580
            P    1   1.00
                  0.0362770              1.0000000
            P    1   1.00
                  0.0131000              1.0000000
            D    5   1.00
                  5.2576100             -0.0147610
                  2.1046200              0.1319820
                  0.9582010              0.3470860
                  0.4140470              0.4054710
                  0.1684500              0.2880580
            D    5   1.00
                  5.2576100              0.0154390
                  2.1046200             -0.1606210
                  0.9582010             -0.4232290
                  0.4140470             -0.1923390
                  0.1684500              0.5314590
            D    1   1.00
                  0.0623420              1.0000000
            D    1   1.00
                  0.0231000              1.0000000
            F    1   1.00
                  0.6007000              1.0000000
            F    1   1.00
                  0.1850000              1.0000000
            ****
            -Tc     0
            S    7   1.00
                132.6560000              0.0006860
                 19.8986000             -0.0360010
                 12.4450000              0.1564650
                  4.3605000             -0.5995730
                  1.0443600              0.8357100
                  0.4741590              0.4490550
                  0.0987360              0.0183780
            S    7   1.00
                132.6560000             -0.0001680
                 19.8986000              0.0093110
                 12.4450000             -0.0455350
                  4.3605000              0.1986020
                  1.0443600             -0.3749740
                  0.4741590             -0.2817600
                  0.0987360              0.6329980
            S    7   1.00
                132.6560000              0.0009800
                 19.8986000             -0.0378410
                 12.4450000              0.1317670
                  4.3605000             -0.4834180
                  1.0443600              1.4848540
                  0.4741590             -0.8047310
                  0.0987360             -1.5511910
            S    1   1.00
                  0.0367360              1.0000000
            S    1   1.00
                  0.0137000              1.0000000
            P    6   1.00
                 12.1789000              0.0273140
                  5.6848400             -0.1814030
                  1.4398300              0.4908910
                  0.6789090              0.4965410
                  0.3025150              0.1532990
                  0.1073070              0.0067000
            P    6   1.00
                 12.1789000             -0.0074300
                  5.6848400              0.0541370
                  1.4398300             -0.1762270
                  0.6789090             -0.2096540
                  0.3025150              0.0734980
                  0.1073070              0.6070490
            P    6   1.00
                 12.1789000             -0.0116300
                  5.6848400              0.0854050
                  1.4398300             -0.2844050
                  0.6789090             -0.3578760
                  0.3025150              0.3260330
                  0.1073070              0.7801240
            P    1   1.00
                  0.0381770              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  5.7601300             -0.0164110
                  2.3642400              0.1344070
                  1.0887100              0.3547260
                  0.4740600              0.4044790
                  0.1936070              0.2788770
            D    5   1.00
                  5.7601300              0.0169910
                  2.3642400             -0.1548960
                  1.0887100             -0.4281920
                  0.4740600             -0.1789920
                  0.1936070              0.5346560
            D    1   1.00
                  0.0714600              1.0000000
            D    1   1.00
                  0.0264000              1.0000000
            F    1   1.00
                  0.7228000              1.0000000
            F    1   1.00
                  0.2272000              1.0000000
            ****
            -Ru     0
            S    7   1.00
                159.3720000              0.0006730
                 20.9016000             -0.0371610
                 13.0741000              0.1665170
                  4.7147400             -0.6159540
                  1.1361200              0.8428300
                  0.5154640              0.4477630
                  0.1067670              0.0184450
            S    7   1.00
                159.3720000             -0.0001690
                 20.9016000              0.0093920
                 13.0741000             -0.0477130
                  4.7147400              0.2011130
                  1.1361200             -0.3734210
                  0.5154640             -0.2738590
                  0.1067670              0.6093840
            S    7   1.00
                159.3720000              0.0008950
                 20.9016000             -0.0396350
                 13.0741000              0.1442430
                  4.7147400             -0.5192870
                  1.1361200              1.5854040
                  0.5154640             -0.9082030
                  0.1067670             -1.4720020
            S    1   1.00
                  0.0392180              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                 12.8738000              0.0299680
                  6.1475000             -0.1879300
                  1.5652400              0.4999900
                  0.7361940              0.4957320
                  0.3263170              0.1475150
                  0.1124070              0.0060880
            P    6   1.00
                 12.8738000             -0.0078010
                  6.1475000              0.0536560
                  1.5652400             -0.1719400
                  0.7361940             -0.1991700
                  0.3263170              0.0744110
                  0.1124070              0.5971370
            P    6   1.00
                 12.8738000             -0.0135020
                  6.1475000              0.0937330
                  1.5652400             -0.3159100
                  0.7361940             -0.3618000
                  0.3263170              0.4008770
                  0.1124070              0.7537660
            P    1   1.00
                  0.0391720              1.0000000
            P    1   1.00
                  0.0137000              1.0000000
            D    5   1.00
                  6.2126500             -0.0245970
                  2.7853900              0.1273340
                  1.2685100              0.3570810
                  0.5517900              0.4082070
                  0.2247310              0.2812400
            D    5   1.00
                  6.2126500              0.0261160
                  2.7853900             -0.1459400
                  1.2685100             -0.4425210
                  0.5517900             -0.1690200
                  0.2247310              0.5052370
            D    1   1.00
                  0.0824110              1.0000000
            D    1   1.00
                  0.0302000              1.0000000
            F    1   1.00
                  0.8500000              1.0000000
            F    1   1.00
                  0.2719000              1.0000000
            ****
            -Rh     0
            S    7   1.00
                184.6660000              0.0006920
                 21.9974000             -0.0383930
                 13.7616000              0.1760190
                  5.0872000             -0.6299250
                  1.2294000              0.8495440
                  0.5568140              0.4457290
                  0.1140670              0.0182040
            S    7   1.00
                184.6660000             -0.0001780
                 21.9974000              0.0094560
                 13.7616000             -0.0494720
                  5.0872000              0.2018670
                  1.2294000             -0.3698090
                  0.5568140             -0.2653310
                  0.1140670              0.5891540
            S    7   1.00
                184.6660000              0.0008370
                 21.9974000             -0.0402860
                 13.7616000              0.1506490
                  5.0872000             -0.5268510
                  1.2294000              1.5723820
                  0.5568140             -0.8876430
                  0.1140670             -1.4709450
            S    1   1.00
                  0.0414150              1.0000000
            S    1   1.00
                  0.0150000              1.0000000
            P    6   1.00
                 13.6985000              0.0318210
                  6.6247600             -0.1930280
                  1.6961300              0.5062420
                  0.7973510              0.4949020
                  0.3520340              0.1440300
                  0.1233420              0.0056080
            P    6   1.00
                 13.6985000             -0.0085830
                  6.6247600              0.0568110
                  1.6961300             -0.1801720
                  0.7973510             -0.2034110
                  0.3520340              0.0848180
                  0.1233420              0.6010570
            P    6   1.00
                 13.6985000             -0.0151640
                  6.6247600              0.1011250
                  1.6961300             -0.3456410
                  0.7973510             -0.3454850
                  0.3520340              0.4221020
                  0.1233420              0.7304790
            P    1   1.00
                  0.0431300              1.0000000
            P    1   1.00
                  0.0151000              1.0000000
            D    5   1.00
                 18.7370000              0.0064810
                 11.7046000             -0.0139420
                  2.2555800              0.2506820
                  0.9494110              0.4511110
                  0.3661640              0.3839990
            D    5   1.00
                 18.7370000             -0.0075900
                 11.7046000              0.0162940
                  2.2555800             -0.3347730
                  0.9494110             -0.4463960
                  0.3661640              0.3299670
            D    1   1.00
                  0.1239770              1.0000000
            D    1   1.00
                  0.0420000              1.0000000
            F    1   1.00
                  0.9936000              1.0000000
            F    1   1.00
                  0.3222000              1.0000000
            ****
            -Pd     0
            S    7   1.00
                208.1230000              0.0007270
                 22.8525000             -0.0409280
                 14.2986000              0.1922850
                  5.4880100             -0.6501040
                  1.3253200              0.8565530
                  0.5989570              0.4438760
                  0.1209830              0.0178500
            S    7   1.00
                208.1230000             -0.0001890
                 22.8525000              0.0098180
                 14.2986000             -0.0528760
                  5.4880100              0.2035110
                  1.3253200             -0.3639350
                  0.5989570             -0.2582190
                  0.1209830              0.5704320
            S    7   1.00
                208.1230000              0.0008000
                 22.8525000             -0.0417810
                 14.2986000              0.1593620
                  5.4880100             -0.5231230
                  1.3253200              1.4917730
                  0.5989570             -0.7916960
                  0.1209830             -1.5172540
            S    1   1.00
                  0.0434590              1.0000000
            S    1   1.00
                  0.0156000              1.0000000
            P    6   1.00
                 14.0509000              0.0379970
                  7.1390600             -0.2040770
                  1.8300700              0.5137680
                  0.8583350              0.4942400
                  0.3772750              0.1402910
                  0.1256960              0.0051570
            P    6   1.00
                 14.0509000             -0.0093130
                  7.1390600              0.0546710
                  1.8300700             -0.1661610
                  0.8583350             -0.1858420
                  0.3772750              0.0731610
                  0.1256960              0.5861720
            P    6   1.00
                 14.0509000             -0.0186030
                  7.1390600              0.1098650
                  1.8300700             -0.3664000
                  0.8583350             -0.3473160
                  0.3772750              0.4820340
                  0.1256960              0.7096400
            P    1   1.00
                  0.0426590              1.0000000
            P    1   1.00
                  0.0145000              1.0000000
            D    5   1.00
                 19.2539000              0.0066240
                 10.5848000             -0.0184110
                  2.4561900              0.2633960
                  1.0352900              0.4524480
                  0.4020080              0.3758330
            D    5   1.00
                 19.2539000             -0.0078390
                 10.5848000              0.0218380
                  2.4561900             -0.3691550
                  1.0352900             -0.4309590
                  0.4020080              0.3749650
            D    1   1.00
                  0.1370570              1.0000000
            D    1   1.00
                  0.0467000              1.0000000
            F    1   1.00
                  1.1484000              1.0000000
            F    1   1.00
                  0.3788000              1.0000000
            ****
            -Ag     0
            S    8   1.00
                180.0750000              0.0008490
                 21.8987000             -0.0654500
                 13.8670000              0.2977650
                  6.1426300             -0.7531210
                  1.4381400              0.8811750
                  0.6483820              0.4351760
                  0.1288820              0.0147380
                  0.0457380             -0.0013990
            S    8   1.00
                180.0750000             -0.0002030
                 21.8987000              0.0157230
                 13.8670000             -0.0792290
                  6.1426300              0.2226340
                  1.4381400             -0.3491960
                  0.6483820             -0.2559780
                  0.1288820              0.5486660
                  0.0457380              0.6181030
            S    8   1.00
                180.0750000             -0.0008620
                 21.8987000              0.0525460
                 13.8670000             -0.2081000
                  6.1426300              0.5249720
                  1.4381400             -1.2701730
                  0.6483820              0.5393730
                  0.1288820              1.6533910
                  0.0457380             -1.5839750
            S    1   1.00
                  0.0457380              1.0000000
            S    1   1.00
                  0.0162000              1.0000000
            P    7   1.00
                 11.8751000              0.1162480
                  8.0024500             -0.3072860
                  2.0176600              0.5157360
                  0.9542300              0.5031040
                  0.4231180              0.1420950
                  0.1358850              0.0051530
                  0.0454010              0.0001040
            P    7   1.00
                 11.8751000             -0.0282840
                  8.0024500              0.0783470
                  2.0176600             -0.1567410
                  0.9542300             -0.1886250
                  0.4231180              0.0635650
                  0.1358850              0.5817780
                  0.0454010              0.4999110
            P    7   1.00
                 11.8751000             -0.0528570
                  8.0024500              0.1470390
                  2.0176600             -0.3129730
                  0.9542300             -0.3708280
                  0.4231180              0.4236290
                  0.1358850              0.7536550
                  0.0454010              0.0708700
            P    1   1.00
                  0.0454010              1.0000000
            P    1   1.00
                  0.0152000              1.0000000
            D    6   1.00
                 26.4320000              0.0034790
                 11.0345000             -0.0138480
                  2.7378700              0.2545990
                  1.1957500              0.4498490
                  0.4820420              0.3757380
                  0.1729080              0.1458790
            D    6   1.00
                 26.4320000             -0.0047330
                 11.0345000              0.0190700
                  2.7378700             -0.4332980
                  1.1957500             -0.4445680
                  0.4820420              0.4914420
                  0.1729080              0.5728660
            D    1   1.00
                  0.1729080              1.0000000
            D    1   1.00
                  0.0620000              1.0000000
            F    1   1.00
                  1.3299000              1.0000000
            F    1   1.00
                  0.4449000              1.0000000
            ****
            -Cd     0
            S    8   1.00
                223.8530000              0.0008710
                 23.0948000             -0.0643070
                 14.6522000              0.3013160
                  6.5704440             -0.7605240
                  1.5378300              0.8940710
                  0.6909840              0.4278790
                  0.1349130              0.0101880
                  0.0474420             -0.0024450
            S    8   1.00
                223.8530000             -0.0002290
                 23.0948000              0.0155940
                 14.6522000             -0.0810470
                  6.5704440              0.2272510
                  1.5378300             -0.3625630
                  0.6909840             -0.2507830
                  0.1349130              0.6135330
                  0.0474420              0.5582600
            S    8   1.00
                223.8530000              0.0010770
                 23.0948000             -0.0716490
                 14.6522000              0.2889750
                  6.5704440             -0.7315460
                  1.5378300              1.9768990
                  0.6909840             -1.3519510
                  0.1349130             -1.1186740
                  0.0474420              1.3026160
            S    1   1.00
                  0.0474420              1.0000000
            S    1   1.00
                  0.0167000              1.0000000
            P    7   1.00
                 13.7175000              0.0776160
                  8.4632200             -0.2579430
                  2.1182000              0.5352740
                  0.9892620              0.4963620
                  0.4317810              0.1231090
                  0.1391600              0.0032100
                  0.0461490              0.0003400
            P    7   1.00
                 13.7175000             -0.0180110
                  8.4632200              0.0637170
                  2.1182000             -0.1587410
                  0.9892620             -0.1762800
                  0.4317810              0.0710060
                  0.1391600              0.5775860
                  0.0461490              0.4994910
            P    7   1.00
                 13.7175000             -0.0307300
                  8.4632200              0.1087440
                  2.1182000             -0.2782310
                  0.9892620             -0.3293900
                  0.4317810              0.3546300
                  0.1391600              0.7814580
                  0.0461490              0.0852520
            P    1   1.00
                  0.0461490              1.0000000
            P    1   1.00
                  0.0153000              1.0000000
            D    6   1.00
                 31.6697000              0.0031630
                 12.2214000             -0.0117910
                  3.1219900              0.2411940
                  1.3894100              0.4489980
                  0.5732030              0.3802110
                  0.2117080              0.1445530
            D    6   1.00
                 31.6697000             -0.0048710
                 12.2214000              0.0185820
                  3.1219900             -0.4766730
                  1.3894100             -0.4576040
                  0.5732030              0.5714620
                  0.2117080              0.4973800
            D    1   1.00
                  0.2117080              1.0000000
            D    1   1.00
                  0.0782000              1.0000000
            F    1   1.00
                  1.5393000              1.0000000
            F    1   1.00
                  0.5177000              1.0000000
            ****
            -In     0
            S    8   1.00
                265.1310000              0.0007700
                 25.5694000             -0.0527910
                 16.0041000              0.2593430
                  6.8188500             -0.7392890
                  1.6667600              0.8857730
                  0.7692320              0.4425920
                  0.1704150              0.0115740
                  0.0622300             -0.0024510
            S    8   1.00
                265.1310000             -0.0002300
                 25.5694000              0.0140880
                 16.0041000             -0.0786150
                  6.8188500              0.2528640
                  1.6667600             -0.4155450
                  0.7692320             -0.2966470
                  0.1704150              0.6785780
                  0.0622300              0.5271290
            S    1   1.00
                  0.1704150              1.0000000
            S    1   1.00
                  0.0622300              1.0000000
            S    1   1.00
                  0.0203000              1.0000000
            P    6   1.00
                 14.4691000              0.0901770
                  9.2808300             -0.2676420
                  2.0820100              0.6644830
                  0.8443140              0.4616900
                  0.1869000              0.0270590
                  0.0547770             -0.0046770
            P    6   1.00
                 14.4691000             -0.0190230
                  9.2808300              0.0591570
                  2.0820100             -0.1807490
                  0.8443140             -0.1145820
                  0.1869000              0.4407390
                  0.0547770              0.6877890
            P    1   1.00
                  0.0547770              1.0000000
            P    1   1.00
                  0.0141000              1.0000000
            D    6   1.00
                 30.7879000              0.0057660
                 19.2555000             -0.0107080
                  3.1966200              0.2938600
                  1.3321000              0.5108690
                  0.5046190              0.3415190
                  0.1498000              0.0524650
            D    1   1.00
                  0.1498000              1.0000000
            D    1   1.00
                  0.0472000              1.0000000
            ****
            -Sn     0
            S    8   1.00
                380.3660000              0.0011650
                 28.5822000             -0.0260060
                 17.8892000              0.1660430
                  6.9286200             -0.6589140
                  1.7839100              0.8693360
                  0.8431380              0.4521320
                  0.2052280              0.0129730
                  0.0766360             -0.0024030
            S    8   1.00
                380.3660000             -0.0004420
                 28.5822000              0.0057020
                 17.8892000             -0.0528940
                  6.9286200              0.2520870
                  1.7839100             -0.4703430
                  0.8431380             -0.3161440
                  0.2052280              0.7206250
                  0.0766360              0.5111140
            S    1   1.00
                  0.2052280              1.0000000
            S    1   1.00
                  0.0766360              1.0000000
            S    1   1.00
                  0.0275000              1.0000000
            P    6   1.00
                 18.5489000              0.0370210
                  9.5669600             -0.1938660
                  2.2186100              0.6575940
                  0.9214590              0.4555060
                  0.2178580              0.0272160
                  0.0693200             -0.0046040
            P    6   1.00
                 18.5489000             -0.0090520
                  9.5669600              0.0517620
                  2.2186100             -0.2217430
                  0.9214590             -0.1242790
                  0.2178580              0.5218530
                  0.0693200              0.6099370
            P    1   1.00
                  0.0693200              1.0000000
            P    1   1.00
                  0.0209000              1.0000000
            D    6   1.00
                 38.5626000              0.0042610
                 21.7613000             -0.0068970
                  3.6611100              0.2762770
                  1.5583300              0.5143230
                  0.6095230              0.3445590
                  0.1897000              0.0515940
            D    1   1.00
                  0.1897000              1.0000000
            D    1   1.00
                  0.0649000              1.0000000
            ****
            -Sb     0
            S    8   1.00
                371.5840000              0.0015910
                 26.5392000             -0.0416840
                 16.6213000              0.2733430
                  7.7355100             -0.7676850
                  1.8923400              0.8994960
                  0.9104310              0.4313870
                  0.2442310              0.0128370
                  0.0923970             -0.0021730
            S    8   1.00
                371.5840000              0.0006540
                 26.5392000             -0.0109620
                 16.6213000              0.0938330
                  7.7355100             -0.3040090
                  1.8923400              0.5084090
                  0.9104310              0.3392390
                  0.2442310             -0.7347720
                  0.0923970             -0.5261340
            S    1   1.00
                  0.2442310              1.0000000
            S    1   1.00
                  0.0923970              1.0000000
            S    1   1.00
                  0.0327000              1.0000000
            P    6   1.00
                 16.0509000              0.0921570
                 10.2621000             -0.2755590
                  2.4283200              0.6586400
                  1.0336000              0.4668920
                  0.2594400              0.0285110
                  0.0861080             -0.0051550
            P    6   1.00
                 16.0509000             -0.0253130
                 10.2621000              0.0797960
                  2.4283200             -0.2420940
                  1.0336000             -0.1486050
                  0.2594400              0.5489440
                  0.0861080              0.5892910
            P    1   1.00
                  0.0861080              1.0000000
            P    1   1.00
                  0.0271000              1.0000000
            D    6   1.00
                 45.4785000              0.0032590
                 18.5114000             -0.0054970
                  3.9160000              0.2799530
                  1.7148200              0.5127510
                  0.6973190              0.3328720
                  0.2304000              0.0488430
            D    1   1.00
                  0.2304000              1.0000000
            D    1   1.00
                  0.0802000              1.0000000
            ****
            -Te     0
            S    8   1.00
               2111.1900000              0.0006120
                311.6910000              0.0032070
                 13.8226000              0.4055120
                  8.7174800             -0.9325880
                  1.9830300              0.9196570
                  0.9703770              0.4046710
                  0.2797650              0.0123660
                  0.1067760             -0.0016040
            S    8   1.00
               2111.1900000              0.0002510
                311.6910000              0.0014570
                 13.8226000              0.1637020
                  8.7174800             -0.3984550
                  1.9830300              0.5780740
                  0.9703770              0.3271240
                  0.2797650             -0.7846540
                  0.1067760             -0.4994510
            S    1   1.00
                  0.2797650              1.0000000
            S    1   1.00
                  0.1067760              1.0000000
            S    1   1.00
                  0.0369000              1.0000000
            P    6   1.00
                 17.0629000              0.0893400
                 10.8306000             -0.2711680
                  2.5938000              0.6620230
                  1.1267600              0.4607440
                  0.3001760              0.0288090
                  0.0975510             -0.0038630
            P    6   1.00
                 17.0629000             -0.0268610
                 10.8306000              0.0863040
                  2.5938000             -0.2735020
                  1.1267600             -0.1513900
                  0.3001760              0.5839760
                  0.0975510              0.5650140
            P    1   1.00
                  0.0975510              1.0000000
            P    1   1.00
                  0.0299000              1.0000000
            D    6   1.00
                 50.9106000              0.0033540
                 18.4647000             -0.0036420
                  4.2761700              0.2780800
                  1.8977000              0.5163480
                  0.7864800              0.3265710
                  0.2638000              0.0451520
            D    1   1.00
                  0.2638000              1.0000000
            D    1   1.00
                  0.0988000              1.0000000
            ****
            -I     0
            S    8   1.00
                  2.449790D+03           4.190000D-04
                  3.598080D+02           2.240000D-03
                  1.440580D+01           3.972230D-01
                  9.076320D+00          -9.322490D-01
                  2.088100D+00           9.371380D-01
                  1.034980D+00           3.920860D-01
                  3.162840D-01           1.248500D-02
                  1.217190D-01          -1.329000D-03
            S    8   1.00
                  2.449790D+03           1.750000D-04
                  3.598080D+02           1.057000D-03
                  1.440580D+01           1.690000D-01
                  9.076320D+00          -4.217930D-01
                  2.088100D+00           6.388640D-01
                  1.034980D+00           3.201150D-01
                  3.162840D-01          -8.144280D-01
                  1.217190D-01          -4.897980D-01
            S    1   1.00
                  3.162840D-01           1.000000D+00
            S    1   1.00
                  1.217190D-01           1.000000D+00
            S    1   1.00
                  4.200000D-02           1.0000000
            P    6   1.00
                  1.953010D+01           5.893400D-02
                  1.108820D+01          -2.309300D-01
                  2.715630D+00           6.648010D-01
                  1.204300D+00           4.506730D-01
                  3.399450D-01           2.898000D-02
                  1.108810D-01          -2.889000D-03
            P    6   1.00
                  1.953010D+01          -1.883600D-02
                  1.108820D+01           8.000600D-02
                  2.715630D+00          -3.066520D-01
                  1.204300D+00          -1.475940D-01
                  3.399450D-01           6.075060D-01
                  1.108810D-01           5.470490D-01
            P    1   1.00
                  1.108810D-01           1.000000D+00
            P    1   1.00
                  3.380000D-02           1.0000000
            D    6   1.00
                  4.547650D+01           4.266000D-03
                  1.319280D+01          -1.362500D-02
                  4.227410D+00           3.097560D-01
                  1.942800D+00           5.097720D-01
                  8.397710D-01           2.974610D-01
                  3.000000D-01           4.016400D-02
            D    1   1.00
                  3.000000D-01           1.000000D+00
            D    1   1.00
                  1.191000D-01           1.0000000
            ****
            -Xe     0
            S    8   1.00
               2058.3200000              0.0009380
                307.4270000              0.0044200
                 15.7815000              0.3543950
                  9.5447000             -0.8885140
                  2.2296900              0.9496240
                  1.1120000              0.3810660
                  0.3554300              0.0125430
                  0.1377260             -0.0010730
            S    8   1.00
               2058.3200000             -0.0004380
                307.4270000             -0.0022770
                 15.7815000             -0.1557960
                  9.5447000              0.4175780
                  2.2296900             -0.6793250
                  1.1120000             -0.3183090
                  0.3554300              0.8356730
                  0.1377260              0.4854110
            S    1   1.00
                  0.3554300              1.0000000
            S    1   1.00
                  0.1377260              1.0000000
            S    1   1.00
                  0.0473000              1.0000000
            P    6   1.00
                 20.1725000              0.0687400
                 11.8122000             -0.2446140
                  2.9346000              0.6676480
                  1.3189000              0.4501800
                  0.3858160              0.0286890
                  0.1269610             -0.0034820
            P    6   1.00
                 20.1725000             -0.0229670
                 11.8122000              0.0881150
                  2.9346000             -0.3233110
                  1.3189000             -0.1542280
                  0.3858160              0.6228820
                  0.1269610              0.5375650
            P    1   1.00
                  0.1269610              1.0000000
            P    1   1.00
                  0.0379000              1.0000000
            D    6   1.00
                 52.6666000              0.0048070
                 14.3464000             -0.0045170
                  4.8159700              0.3015100
                  2.2149600              0.5120370
                  0.9611280              0.2990900
                  0.3412000              0.0395700
            D    1   1.00
                  0.3412000              1.0000000
            D    1   1.00
                  0.1404000              1.0000000
            ****
            -Hf     0
            S    7   1.00
                 29.2650000              0.0294330
                 18.3491000             -0.1987340
                 11.5257000              0.4359330
                  4.3859900             -0.7730970
                  0.8910800              0.8677580
                  0.4057400              0.4202920
                  0.0950670              0.0131930
            S    7   1.00
                 29.2650000             -0.0090770
                 18.3491000              0.0611920
                 11.5257000             -0.1354740
                  4.3859900              0.2530470
                  0.8910800             -0.3699320
                  0.4057400             -0.3314430
                  0.0950670              0.6577990
            S    7   1.00
                 29.2650000              0.0309420
                 18.3491000             -0.1631770
                 11.5257000              0.3100050
                  4.3859900             -0.5289420
                  0.8910800              1.2562440
                  0.4057400             -0.4970260
                  0.0950670             -1.8102840
            S    1   1.00
                  0.0358680              1.0000000
            S    1   1.00
                  0.0135000              1.0000000
            P    6   1.00
                  7.1199600              0.1786130
                  4.6018200             -0.5085500
                  2.9004600              0.1812060
                  0.9377910              0.6364370
                  0.3915000              0.4348840
                  0.1071520              0.0442170
            P    6   1.00
                  7.1199600             -0.0485910
                  4.6018200              0.1398590
                  2.9004600             -0.0462230
                  0.9377910             -0.2282940
                  0.3915000             -0.1575630
                  0.1071520              0.5288190
            P    6   1.00
                  7.1199600             -0.0658780
                  4.6018200              0.1871460
                  2.9004600             -0.0488380
                  0.9377910             -0.3615180
                  0.3915000             -0.1743340
                  0.1071520              0.9190410
            P    1   1.00
                  0.0367710              1.0000000
            P    1   1.00
                  0.0126000              1.0000000
            D    5   1.00
                  7.4982700              0.0144910
                  4.6961800             -0.0529680
                  1.0636000              0.2380440
                  0.4188210              0.4352750
                  0.1545660              0.4244200
            D    5   1.00
                  7.4982700             -0.0165460
                  4.6961800              0.0618730
                  1.0636000             -0.3167410
                  0.4188210             -0.5274120
                  0.1545660              0.3428660
            D    1   1.00
                  0.0526440              1.0000000
            D    1   1.00
                  0.0179000              1.0000000
            F    1   1.00
                  0.2700000              1.0000000
            F    1   1.00
                  0.0824000              1.0000000
            ****
            -Ta     0
            S    7   1.00
                 29.8670000              0.0287250
                 18.7203000             -0.1985810
                 11.7533000              0.4482880
                  4.5708900             -0.7983960
                  0.9478400              0.8861040
                  0.4340380              0.4136940
                  0.1050310              0.0121460
            S    7   1.00
                 29.8670000             -0.0091320
                 18.7203000              0.0630170
                 11.7533000             -0.1437480
                  4.5708900              0.2705360
                  0.9478400             -0.4015970
                  0.4340380             -0.3195670
                  0.1050310              0.6651050
            S    7   1.00
                 29.8670000              0.0324720
                 18.7203000             -0.1723550
                 11.7533000              0.3341840
                  4.5708900             -0.5725580
                  0.9478400              1.3652610
                  0.4340380             -0.6032250
                  0.1050310             -1.7315730
            S    1   1.00
                  0.0389480              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                  7.3652400              0.1796820
                  4.7544000             -0.5211000
                  2.9959500              0.1911040
                  0.9941230              0.6464550
                  0.4196000              0.4240400
                  0.1182390              0.0425600
            P    6   1.00
                  7.3652400             -0.0508780
                  4.7544000              0.1495500
                  2.9959500             -0.0507540
                  0.9941230             -0.2483790
                  0.4196000             -0.1478010
                  0.1182390              0.5415390
            P    6   1.00
                  7.3652400             -0.0697670
                  4.7544000              0.2016550
                  2.9959500             -0.0482900
                  0.9941230             -0.4247200
                  0.4196000             -0.1275720
                  0.1182390              0.9415430
            P    1   1.00
                  0.0401010              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  7.5616000              0.0178690
                  4.7408700             -0.0661360
                  1.1697500              0.2554580
                  0.4793100              0.4454920
                  0.1837040              0.4029670
            D    5   1.00
                  7.5616000             -0.0205840
                  4.7408700              0.0780240
                  1.1697500             -0.3544000
                  0.4793100             -0.5155940
                  0.1837040              0.4207610
            D    1   1.00
                  0.0644090              1.0000000
            D    1   1.00
                  0.0226000              1.0000000
            F    1   1.00
                  0.3735000              1.0000000
            F    1   1.00
                  0.1286000              1.0000000
            ****
            -W     0
            S    7   1.00
                 31.1844000              0.0268990
                 19.5385000             -0.1892380
                 12.2602000              0.4339650
                  4.7203700             -0.8043720
                  1.0095700              0.9015400
                  0.4634560              0.4101950
                  0.1137920              0.0110440
            S    7   1.00
                 31.1844000             -0.0086330
                 19.5385000              0.0609770
                 12.2602000             -0.1418640
                  4.7203700              0.2797320
                  1.0095700             -0.4285050
                  0.4634560             -0.3050150
                  0.1137920              0.6713040
            S    7   1.00
                 31.1844000              0.0314780
                 19.5385000             -0.1676990
                 12.2602000              0.3282920
                  4.7203700             -0.5865250
                  1.0095700              1.4154490
                  0.4634560             -0.6488270
                  0.1137920             -1.6892530
            S    1   1.00
                  0.0416420              1.0000000
            S    1   1.00
                  0.0152000              1.0000000
            P    6   1.00
                  7.7873800              0.1852090
                  5.0493000             -0.5283120
                  3.1860200              0.1871580
                  1.0593700              0.6560130
                  0.4491060              0.4179250
                  0.1276250              0.0409650
            P    6   1.00
                  7.7873800             -0.0535080
                  5.0493000              0.1546790
                  3.1860200             -0.0504270
                  1.0593700             -0.2604500
                  0.4491060             -0.1384050
                  0.1276250              0.5459010
            P    6   1.00
                  7.7873800             -0.0749390
                  5.0493000              0.2120220
                  3.1860200             -0.0424460
                  1.0593700             -0.4793750
                  0.4491060             -0.0766750
                  0.1276250              0.9477960
            P    1   1.00
                  0.0427440              1.0000000
            P    1   1.00
                  0.0143000              1.0000000
            D    5   1.00
                  8.3098300              0.0219490
                  5.2246300             -0.0773760
                  1.2952900              0.2632410
                  0.5397610              0.4595460
                  0.2089270              0.3922120
            D    5   1.00
                  8.3098300             -0.0263810
                  5.2246300              0.0952520
                  1.2952900             -0.3960520
                  0.5397610             -0.5079960
                  0.2089270              0.5236000
            D    1   1.00
                  0.0731130              1.0000000
            D    1   1.00
                  0.0256000              1.0000000
            F    1   1.00
                  0.4769000              1.0000000
            F    1   1.00
                  0.1768000              1.0000000
            ****
            -Re     0
            S    7   1.00
                 33.0133000              0.0221330
                 20.6658000             -0.1618310
                 12.9498000              0.3812300
                  4.7782300             -0.7875220
                  1.0858000              0.8980810
                  0.5000250              0.4224690
                  0.1210690              0.0172060
            S    7   1.00
                 33.0133000             -0.0070680
                 20.6658000              0.0530520
                 12.9498000             -0.1282310
                  4.7782300              0.2853960
                  1.0858000             -0.4487810
                  0.5000250             -0.2976680
                  0.1210690              0.6634730
            S    7   1.00
                 33.0133000              0.0274240
                 20.6658000             -0.1468310
                 12.9498000              0.2908580
                  4.7782300             -0.5801000
                  1.0858000              1.4204980
                  0.5000250             -0.6321790
                  0.1210690             -1.6875030
            S    1   1.00
                  0.0438810              1.0000000
            S    1   1.00
                  0.0159000              1.0000000
            P    6   1.00
                  8.6759800              0.1394900
                  5.6538200             -0.3569770
                  1.4063900              0.4818040
                  0.6920560              0.5117960
                  0.3163520              0.1708180
                  0.1093090              0.0097820
            P    6   1.00
                  8.6759800             -0.0412390
                  5.6538200              0.1083450
                  1.4063900             -0.1688840
                  0.6920560             -0.2386860
                  0.3163520              0.0632430
                  0.1093090              0.6102210
            P    6   1.00
                  8.6759800             -0.0651350
                  5.6538200              0.1725300
                  1.4063900             -0.2649320
                  0.6920560             -0.4743410
                  0.3163520              0.3991830
                  0.1093090              0.8030920
            P    1   1.00
                  0.0385810              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  8.6719700              0.0171910
                  5.4414200             -0.0665390
                  1.3750800              0.2711570
                  0.5838300              0.4487710
                  0.2293620              0.3778590
            D    5   1.00
                  8.6719700             -0.0203340
                  5.4414200              0.0775390
                  1.3750800             -0.3686920
                  0.5838300             -0.4745880
                  0.2293620              0.4599950
            D    1   1.00
                  0.0808850              1.0000000
            D    1   1.00
                  0.0285000              1.0000000
            F    1   1.00
                  0.5533000              1.0000000
            F    1   1.00
                  0.2126000              1.0000000
            ****
            -Os     0
            S    7   1.00
                 34.5933000              0.0194050
                 21.6442000             -0.1468750
                 13.5521000              0.3551890
                  4.8950800             -0.7883690
                  1.1634600              0.9033000
                  0.5380840              0.4302560
                  0.1306730              0.0181640
            S    7   1.00
                 34.5933000             -0.0059240
                 21.6442000              0.0475810
                 13.5521000             -0.1198590
                  4.8950800              0.2905900
                  1.1634600             -0.4633260
                  0.5380840             -0.2910580
                  0.1306730              0.6489970
            S    7   1.00
                 34.5933000              0.0286790
                 21.6442000             -0.1533520
                 13.5521000              0.3066570
                  4.8950800             -0.6590400
                  1.1634600              1.6880660
                  0.5380840             -0.9098660
                  0.1306730             -1.5178370
            S    1   1.00
                  0.0469820              1.0000000
            S    1   1.00
                  0.0169000              1.0000000
            P    6   1.00
                  9.1259400              0.1316100
                  5.8907300             -0.3487910
                  1.4397800              0.5276330
                  0.6929760              0.5000040
                  0.3084380              0.1387070
                  0.1086800              0.0055910
            P    6   1.00
                  9.1259400             -0.0379630
                  5.8907300              0.1036120
                  1.4397800             -0.1857190
                  0.6929760             -0.2213770
                  0.3084380              0.0960590
                  0.1086800              0.6029380
            P    6   1.00
                  9.1259400             -0.0676070
                  5.8907300              0.1858450
                  1.4397800             -0.3480470
                  0.6929760             -0.4511480
                  0.3084380              0.5586130
                  0.1086800              0.7068530
            P    1   1.00
                  0.0381830              1.0000000
            P    1   1.00
                  0.0134000              1.0000000
            D    5   1.00
                  9.3395000              0.0158420
                  5.8557100             -0.0635100
                  1.4647600              0.2828700
                  0.6312200              0.4507810
                  0.2506620              0.3664550
            D    5   1.00
                  9.3395000             -0.0209240
                  5.8557100              0.0807150
                  1.4647600             -0.4242800
                  0.6312200             -0.4620180
                  0.2506620              0.5555660
            D    1   1.00
                  0.0891640              1.0000000
            D    1   1.00
                  0.0317000              1.0000000
            F    1   1.00
                  0.6278000              1.0000000
            F    1   1.00
                  0.2478000              1.0000000
            ****
            -Ir     0
            S    7   1.00
                 36.0577000              0.0172890
                 22.5516000             -0.1359910
                 14.1116000              0.3386690
                  5.0447500             -0.7941690
                  1.2441700              0.9080010
                  0.5769240              0.4378070
                  0.1394660              0.0187690
            S    7   1.00
                 36.0577000             -0.0049480
                 22.5516000              0.0431240
                 14.1116000             -0.1138030
                  5.0447500              0.2953180
                  1.2441700             -0.4732180
                  0.5769240             -0.2840000
                  0.1394660              0.6351880
            S    7   1.00
                 36.0577000              0.0290550
                 22.5516000             -0.1546790
                 14.1116000              0.3116730
                  5.0447500             -0.7039290
                  1.2441700              1.8161160
                  0.5769240             -1.0291110
                  0.1394660             -1.4393180
            S    1   1.00
                  0.0497400              1.0000000
            S    1   1.00
                  0.0177000              1.0000000
            P    6   1.00
                  9.5858000              0.1256510
                  6.1408800             -0.3433060
                  1.4976000              0.5536780
                  0.7141440              0.4910420
                  0.3120660              0.1228370
                  0.1151600              0.0033780
            P    6   1.00
                  9.5858000             -0.0379390
                  6.1408800              0.1069870
                  1.4976000             -0.2083670
                  0.7141440             -0.2217720
                  0.3120660              0.1266520
                  0.1151600              0.6103680
            P    6   1.00
                  9.5858000             -0.0740030
                  6.1408800              0.2101790
                  1.4976000             -0.4612670
                  0.7141440             -0.3768670
                  0.3120660              0.6521120
                  0.1151600              0.6073860
            P    1   1.00
                  0.0412770              1.0000000
            P    1   1.00
                  0.0148000              1.0000000
            D    5   1.00
                  9.9606900              0.0154630
                  6.2430300             -0.0631200
                  1.5631700              0.2923090
                  0.6819400              0.4527480
                  0.2734460              0.3571590
            D    5   1.00
                  9.9606900             -0.0198010
                  6.2430300              0.0777020
                  1.5631700             -0.4252400
                  0.6819400             -0.4331870
                  0.2734460              0.4752470
            D    1   1.00
                  0.0980080              1.0000000
            D    1   1.00
                  0.0351000              1.0000000
            F    1   1.00
                  0.7127000              1.0000000
            F    1   1.00
                  0.2898000              1.0000000
            ****
            -Pt     0
            S    7   1.00
                 37.3750000              0.0156980
                 23.3685000             -0.1285150
                 14.6164000              0.3299960
                  5.2209620             -0.8039770
                  1.3267320              0.9127650
                  0.6163210              0.4444260
                  0.1480680              0.0192250
            S    7   1.00
                 37.3750000             -0.0041400
                 23.3685000              0.0396870
                 14.6164000             -0.1100630
                  5.2209620              0.3003960
                  1.3267320             -0.4809750
                  0.6163210             -0.2769970
                  0.1480680              0.6216130
            S    7   1.00
                 37.3750000              0.0303040
                 23.3685000             -0.1595530
                 14.6164000              0.3222870
                  5.2209620             -0.7469090
                  1.3267320              1.9183060
                  0.6163210             -1.1164460
                  0.1480680             -1.3836520
            S    1   1.00
                  0.0523910              1.0000000
            S    1   1.00
                  0.0185000              1.0000000
            P    6   1.00
                  9.9926800              0.1240460
                  6.3831700             -0.3446320
                  1.5696500              0.5711200
                  0.7427790              0.4873560
                  0.3180200              0.1119590
                  0.1141460              0.0019280
            P    6   1.00
                  9.9926800             -0.0346870
                  6.3831700              0.0999320
                  1.5696500             -0.2018840
                  0.7427790             -0.1984590
                  0.3180200              0.1230340
                  0.1141460              0.5955770
            P    6   1.00
                  9.9926800             -0.0771530
                  6.3831700              0.2234940
                  1.5696500             -0.5228040
                  0.7427790             -0.3298980
                  0.3180200              0.7297730
                  0.1141460              0.5372880
            P    1   1.00
                  0.0398630              1.0000000
            P    1   1.00
                  0.0139000              1.0000000
            D    5   1.00
                 10.4126000              0.0150800
                  6.5226600             -0.0622950
                  1.6643000              0.3006490
                  0.7342080              0.4539610
                  0.2974070              0.3490010
            D    5   1.00
                 10.4126000             -0.0198660
                  6.5226600              0.0796630
                  1.6643000             -0.4687940
                  0.7342080             -0.4051740
                  0.2974070              0.5192890
            D    1   1.00
                  0.1075990              1.0000000
            D    1   1.00
                  0.0389000              1.0000000
            F    1   1.00
                  0.8018000              1.0000000
            F    1   1.00
                  0.3357000              1.0000000
            ****
            -Au     0
            S    8   1.00
                 38.0008000              0.0200090
                 23.9725000             -0.1516790
                 15.2182000              0.3639600
                  5.5399900             -0.8213260
                  1.3855100              0.9366410
                  0.6424610              0.4235270
                  0.1564960              0.0162500
                  0.0549100             -0.0009780
            S    8   1.00
                 38.0008000             -0.0053040
                 23.9725000              0.0463180
                 15.2182000             -0.1199400
                  5.5399900              0.3040620
                  1.3855100             -0.4945010
                  0.6424610             -0.2555160
                  0.1564960              0.6091630
                  0.0549100              0.5977670
            S    8   1.00
                 38.0008000              0.0323400
                 23.9725000             -0.1717620
                 15.2182000              0.3395030
                  5.5399900             -0.7461790
                  1.3855100              1.9174980
                  0.6424610             -1.1299310
                  0.1564960             -1.3662840
                  0.0549100              1.4423910
            S    1   1.00
                  0.0549100              1.0000000
            S    1   1.00
                  0.0193000              1.0000000
            P    7   1.00
                 10.3092000              0.1282170
                  6.6276500             -0.3537900
                  1.6744700              0.5662110
                  0.8011160              0.4931710
                  0.3468790              0.1137750
                  0.1227010              0.0025340
                  0.0424280              0.0006790
            P    7   1.00
                 10.3092000             -0.0358850
                  6.6276500              0.1028900
                  1.6744700             -0.2009880
                  0.8011160             -0.2010450
                  0.3468790              0.1165490
                  0.1227010              0.5949690
                  0.0424280              0.4555200
            P    7   1.00
                 10.3092000             -0.0772420
                  6.6276500              0.2226110
                  1.6744700             -0.4953530
                  0.8011160             -0.3607470
                  0.3468790              0.7100000
                  0.1227010              0.5688390
                  0.0424280              0.0011930
            P    1   1.00
                  0.0424280              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.0027000              0.0164670
                  6.8916600             -0.0680130
                  1.8080800              0.2994920
                  0.8210510              0.4543030
                  0.3441610              0.3442240
                  0.1297430              0.1212560
            D    6   1.00
                 11.0027000             -0.0236280
                  6.8916600              0.0956720
                  1.8080800             -0.5412940
                  0.8210510             -0.3955330
                  0.3441610              0.6191650
                  0.1297430              0.4682760
            D    1   1.00
                  0.1297430              1.0000000
            D    1   1.00
                  0.0489000              1.0000000
            F    1   1.00
                  0.8919000              1.0000000
            F    1   1.00
                  0.3789000              1.0000000
            ****
            -Hg     0
            S    8   1.00
                 41.4804000              0.0100720
                 22.5328000             -0.1147810
                 14.0790000              0.3564080
                  5.7247400             -0.8484430
                  1.4794800              0.9405960
                  0.6882660              0.4353290
                  0.1641810              0.0131780
                  0.0572230             -0.0023140
            S    8   1.00
                 41.4804000              0.0020320
                 22.5328000             -0.0323140
                 14.0790000              0.1153500
                  5.7247400             -0.3177630
                  1.4794800              0.5135230
                  0.6882660              0.2500500
                  0.1641810             -0.6488410
                  0.0572230             -0.5599430
            S    8   1.00
                 41.4804000              0.0218280
                 22.5328000             -0.1555640
                 14.0790000              0.3860250
                  5.7247400             -0.8961040
                  1.4794800              2.3321950
                  0.6882660             -1.5976600
                  0.1641810             -1.0536460
                  0.0572230              1.2895360
            S    1   1.00
                  0.0572230              1.0000000
            S    1   1.00
                  0.0199000              1.0000000
            P    7   1.00
                 10.5805000              0.1286920
                  6.8053900             -0.3608420
                  1.7901600              0.5641170
                  0.8622610              0.5002740
                  0.3752770              0.1137850
                  0.1284210              0.0029390
                  0.0434470              0.0004880
            P    7   1.00
                 10.5805000             -0.0344430
                  6.8053900              0.1009290
                  1.7901600             -0.1924390
                  0.8622610             -0.1960690
                  0.3752770              0.1042040
                  0.1284210              0.5873870
                  0.0434470              0.4727830
            P    7   1.00
                 10.5805000              0.0714680
                  6.8053900             -0.2108590
                  1.7901600              0.4452040
                  0.8622610              0.3916080
                  0.3752770             -0.6670830
                  0.1284210             -0.6195740
                  0.0434470             -0.0009090
            P    1   1.00
                  0.0434470              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.5841000              0.0167290
                  7.2487900             -0.0695580
                  1.9366200              0.3034370
                  0.8987480              0.4548780
                  0.3869310              0.3368080
                  0.1504660              0.1130160
            D    6   1.00
                 11.5841000             -0.0249840
                  7.2487900              0.1041030
                  1.9366200             -0.6169860
                  0.8987480             -0.3538260
                  0.3869310              0.6872800
                  0.1504660              0.3930900
            D    1   1.00
                  0.1504660              1.0000000
            D    1   1.00
                  0.0585000              1.0000000
            F    1   1.00
                  0.9974000              1.0000000
            F    1   1.00
                  0.4377000              1.0000000
            ****
            -Tl     0
            S    8   1.00
                 36.1096000              0.0229790
                 22.5732000             -0.1728970
                 14.1144000              0.4807030
                  6.1597600             -0.9532140
                  1.5706900              0.9608670
                  0.7459610              0.4319720
                  0.1958840              0.0131990
                  0.0710030             -0.0021060
            S    8   1.00
                 36.1096000              0.0059010
                 22.5732000             -0.0544410
                 14.1144000              0.1709120
                  6.1597600             -0.3868060
                  1.5706900              0.5717530
                  0.7459610              0.2895580
                  0.1958840             -0.7163850
                  0.0710030             -0.5289600
            S    1   1.00
                  0.1958840              1.0000000
            S    1   1.00
                  0.0710030              1.0000000
            S    1   1.00
                  0.0206000              1.0000000
            P    6   1.00
                 10.3856000              0.1621170
                  7.0093900             -0.4046950
                  1.7768800              0.6949780
                  0.7479420              0.4664960
                  0.1768080              0.0280130
                  0.0515320             -0.0041730
            P    6   1.00
                 10.3856000             -0.0391990
                  7.0093900              0.1017260
                  1.7768800             -0.2199420
                  0.7479420             -0.1194500
                  0.1768080              0.4597680
                  0.0515320              0.6763890
            P    1   1.00
                  0.0515320              1.0000000
            P    1   1.00
                  0.0130000              1.0000000
            D    6   1.00
                 10.9087000              0.0217120
                  6.8364900             -0.0832690
                  1.9974900              0.3418070
                  0.9144720              0.4833160
                  0.3895180              0.3047550
                  0.1501000              0.0649830
            D    1   1.00
                  0.1501000              1.0000000
            D    1   1.00
                  0.0437000              1.0000000
            ****
            -Pb     0
            S    8   1.00
                 37.4583000              0.0248240
                 23.3170000             -0.1810620
                 14.5759000              0.5007060
                  6.4337600             -0.9797370
                  1.6671900              0.9666300
                  0.8077320              0.4364870
                  0.2270840              0.0136860
                  0.0842520             -0.0020210
            S    8   1.00
                 37.4583000              0.0067850
                 23.3170000             -0.0601870
                 14.5759000              0.1889710
                  6.4337600             -0.4248380
                  1.6671900              0.6220350
                  0.8077320              0.3160880
                  0.2270840             -0.7594740
                  0.0842520             -0.5151310
            S    1   1.00
                  0.2270840              1.0000000
            S    1   1.00
                  0.0842520              1.0000000
            S    1   1.00
                  0.0278000              1.0000000
            P    6   1.00
                 10.6186000              0.1701740
                  7.1878100             -0.4241790
                  1.8943900              0.6934430
                  0.8167090              0.4737730
                  0.2036880              0.0290470
                  0.0649730             -0.0043860
            P    6   1.00
                 10.6186000             -0.0479540
                  7.1878100              0.1245560
                  1.8943900             -0.2597760
                  0.8167090             -0.1414800
                  0.2036880              0.5317690
                  0.0649730              0.6087590
            P    1   1.00
                  0.0649730              1.0000000
            P    1   1.00
                  0.0197000              1.0000000
            D    6   1.00
                 13.7266000              0.0107870
                  6.9898300             -0.0666500
                  2.1735200              0.3342590
                  1.0281200              0.4826840
                  0.4558570              0.3004140
                  0.1822000              0.0632580
            D    1   1.00
                  0.1822000              1.0000000
            D    1   1.00
                  0.0609000              1.0000000
            ****
            -Bi     0
            S    8   1.00
                211.8210000              0.0010880
                 21.3262000             -0.1058620
                 13.3654000              0.5308080
                  6.9461000             -1.0502650
                  1.7122900              0.9958560
                  0.8391070              0.3989520
                  0.2553640              0.0117780
                  0.0967000             -0.0014700
            S    8   1.00
                211.8210000              0.0004220
                 21.3262000             -0.0385370
                 13.3654000              0.2172380
                  6.9461000             -0.4810970
                  1.7122900              0.7015950
                  0.8391070              0.2905200
                  0.2553640             -0.7997780
                  0.0967000             -0.4961310
            S    1   1.00
                  0.2553640              1.0000000
            S    1   1.00
                  0.0967000              1.0000000
            S    1   1.00
                  0.0317000              1.0000000
            P    6   1.00
                 11.0644000              0.1672490
                  7.4500000             -0.4252620
                  2.0106900              0.6925250
                  0.8883210              0.4753740
                  0.2363690              0.0298590
                  0.0792900             -0.0044930
            P    6   1.00
                 11.0644000             -0.0522010
                  7.4500000              0.1390830
                  2.0106900             -0.2935560
                  0.8883210             -0.1585740
                  0.2363690              0.5743620
                  0.0792900              0.5726780
            P    1   1.00
                  0.0792900              1.0000000
            P    1   1.00
                  0.0254000              1.0000000
            D    6   1.00
                 16.2461000              0.0078080
                  6.9836300             -0.0668310
                  2.3747600              0.3241400
                  1.1537200              0.4858310
                  0.5259740              0.3010560
                  0.2151000              0.0631960
            D    1   1.00
                  0.2151000              1.0000000
            D    1   1.00
                  0.0745000              1.0000000
            ****
            -Po     0
            S    8   1.00
                295.3900000              0.0013830
                 21.2683000             -0.1050610
                 13.3379000              0.5914250
                  7.3652100             -1.1156970
                  1.7892000              1.0191620
                  0.8849940              0.3798790
                  0.2857870              0.0107810
                  0.1093240             -0.0011440
            S    8   1.00
                295.3900000              0.0006830
                 21.2683000             -0.0385730
                 13.3379000              0.2519580
                  7.3652100             -0.5330160
                  1.7892000              0.7669010
                  0.8849940              0.2818780
                  0.2857870             -0.8394770
                  0.1093240             -0.4792720
            S    1   1.00
                  0.2857870              1.0000000
            S    1   1.00
                  0.1093240              1.0000000
            S    1   1.00
                  0.0359000              1.0000000
            P    6   1.00
                 11.5069000              0.1663640
                  7.7299100             -0.4272350
                  2.1189400              0.6969640
                  0.9553230              0.4713590
                  0.2683520              0.0299870
                  0.0884940             -0.0034870
            P    6   1.00
                 11.5069000             -0.0559100
                  7.7299100              0.1511230
                  2.1189400             -0.3261600
                  0.9553230             -0.1614090
                  0.2683520              0.6016150
                  0.0884940              0.5559720
            P    1   1.00
                  0.0884940              1.0000000
            P    1   1.00
                  0.0278000              1.0000000
            D    6   1.00
                 18.7130000              0.0066940
                  7.0570800             -0.0671040
                  2.5506200              0.3257980
                  1.2506900              0.4957630
                  0.5742560              0.2931060
                  0.2330000              0.0541620
            D    1   1.00
                  0.2330000              1.0000000
            D    1   1.00
                  0.0895000              1.0000000
            ****
            -At     0
            S    8   1.00
                304.0310000              0.0010310
                 22.4085000             -0.1018690
                 14.0490000              0.5632730
                  7.5895000             -1.1045120
                  1.8949400              1.0263640
                  0.9523580              0.3833240
                  0.3170410              0.0113590
                  0.1224900             -0.0011400
            S    8   1.00
                304.0310000              0.0004960
                 22.4085000             -0.0387430
                 14.0490000              0.2490070
                  7.5895000             -0.5516910
                  1.8949400              0.8155580
                  0.9523580              0.2868020
                  0.3170410             -0.8682780
                  0.1224900             -0.4694960
            S    1   1.00
                  0.3170410              1.0000000
            S    1   1.00
                  0.1224900              1.0000000
            S    1   1.00
                  0.0404000              1.0000000
            P    6   1.00
                 12.0093000              0.1631810
                  8.0330000             -0.4244130
                  2.2239300              0.7031340
                  1.0213300              0.4641680
                  0.3012660              0.0302600
                  0.0999030             -0.0026180
            P    6   1.00
                 12.0093000             -0.0583630
                  8.0330000              0.1606310
                  2.2239300             -0.3589420
                  1.0213300             -0.1621230
                  0.3012660              0.6248880
                  0.0999030              0.5397840
            P    1   1.00
                  0.0999030              1.0000000
            P    1   1.00
                  0.0313000              1.0000000
            D    6   1.00
                 21.3084000              0.0061410
                  7.0207600             -0.0706690
                  2.7689800              0.3190200
                  1.3731400              0.5044700
                  0.6368040              0.2924810
                  0.2593000              0.0514950
            D    1   1.00
                  0.2593000              1.0000000
            D    1   1.00
                  0.1073000              1.0000000
            ****
            -Rn     0
            S    8   1.00
                383.5850000              0.0015720
                 23.2936000             -0.0761810
                 14.6096000              0.4785080
                  7.7319900             -1.0439020
                  1.9942400              1.0190710
                  1.0240700              0.3914520
                  0.3454220              0.0127820
                  0.1350810             -0.0012970
            S    8   1.00
                383.5850000              0.0009020
                 23.2936000             -0.0265350
                 14.6096000              0.2148510
                  7.7319900             -0.5453780
                  1.9942400              0.8694020
                  1.0240700              0.2728620
                  0.3454220             -0.8929670
                  0.1350810             -0.4539150
            S    1   1.00
                  0.3454220              1.0000000
            S    1   1.00
                  0.1350810              1.0000000
            S    1   1.00
                  0.0449000              1.0000000
            P    6   1.00
                 12.4992000              0.1629940
                  8.3397600             -0.4262290
                  2.3359100              0.7107760
                  1.0901900              0.4580860
                  0.3348980              0.0292130
                  0.1125460             -0.0031070
            P    6   1.00
                 12.4992000             -0.0609340
                  8.3397600              0.1694830
                  2.3359100             -0.3880550
                  1.0901900             -0.1612760
                  0.3348980              0.6446740
                  0.1125460              0.5255260
            P    1   1.00
                  0.1125460              1.0000000
            P    1   1.00
                  0.0348000              1.0000000
            D    6   1.00
                 24.1705000              0.0058780
                  6.9459900             -0.0765200
                  3.0380900              0.3071660
                  1.5168400              0.5141680
                  0.7091570              0.2972850
                  0.2888000              0.0512000
            D    1   1.00
                  0.2888000              1.0000000
            D    1   1.00
                  0.1251000              1.0000000
            ****
            
            -Y     0
            Y-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      7.85827500           135.13497400
            2      3.38212800            15.41163200
            p-g potential
              4
            2      6.84979100            29.25143700
            2      6.71009200            58.50836300
            2      3.04215900             3.78024300
            2      2.93733000             7.67654700
            d-g potential
              4
            2      5.41631500            11.84991100
            2      5.33341600            17.77810300
            2      1.97621200             2.06238300
            2      1.96111100             3.07565000
            f-g potential
              2
            2      5.02859000            -6.92807800
            2      5.00558200            -9.15509900
            -ZR     0
            ZR-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      8.63652800           150.24299400
            2      3.71763900            18.78003600
            p-g potential
              4
            2      7.62672800            33.19279100
            2      7.45320700            66.38903900
            2      3.35838900             4.62072600
            2      3.22973800             9.26027000
            d-g potential
              4
            2      5.93808600            13.99338300
            2      5.82554400            20.99588200
            2      2.20501900             2.28516600
            2      2.20629200             3.44126000
            f-g potential
              2
            2      4.80021500            -5.23932000
            2      4.79899200            -6.98742400
            -NB     0
            NB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      9.37657800           165.15673600
            2      4.04357200            21.82395100
            p-g potential
              4
            2      8.36360900            37.24928400
            2      8.16689800            74.50738900
            2      3.69307500             5.43948600
            2      3.55104700            10.91325200
            d-g potential
              4
            2      6.68910800            15.21454900
            2      6.53719300            22.83350800
            2      2.55111800             3.00005200
            2      2.56789600             4.55373400
            f-g potential
              2
            2      5.56828500            -6.28135400
            2      5.67137200            -8.75564400
            -MO     0
            MO-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.09700000           180.07685300
            2      4.37567000            24.71592000
            p-g potential
              4
            2      9.12656400            41.22767800
            2      8.86322300            82.45267000
            2      4.04494800             6.34509200
            2      3.86665700            12.45842300
            d-g potential
              4
            2      7.53575400            19.30874400
            2      7.27897600            28.97767400
            2      2.76320500             3.18951600
            2      2.77208500             4.70016900
            f-g potential
              2
            2      6.30663300            -7.17888800
            2      6.35644800            -9.74597800
            -TC     0
            TC-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.79936900           195.09130300
            2      4.70725700            27.34041300
            p-g potential
              4
            2      9.82669900            45.06081200
            2      9.56111500            90.11729500
            2      4.37857800             7.07051700
            2      4.19090700            14.04801900
            d-g potential
              4
            2      8.33604500            21.65775500
            2      8.24453300            32.47195900
            2      3.09370700             3.78952500
            2      3.16872200             6.05343000
            f-g potential
              2
            2      7.04094000            -7.99562300
            2      7.06947300           -10.74569600
            -RU     0
            RU-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     11.50059000           209.78649300
            2      5.06857500            30.21430700
            p-g potential
              4
            2     10.53263400            48.75124400
            2     10.19201000            97.49652900
            2      4.73489200             7.86018800
            2      4.50906500            15.32975100
            d-g potential
              4
            2      8.87797700            26.96750600
            2      8.76612200            40.43230300
            2      3.17019600             3.34075800
            2      3.22885100             5.25635200
            f-g potential
              2
            2      7.82024900            -8.84752500
            2      7.83964700           -11.83551800
            -RH     0
            RH-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.19481600           225.31205400
            2      5.40513700            32.44158200
            p-g potential
              4
            2     11.28075500            52.87282600
            2     10.92724800           105.74552600
            2      5.09011700             8.61934400
            2      4.85183200            16.97345900
            d-g potential
              4
            2      9.13633700            25.10850100
            2      8.96480800            37.69573100
            2      3.64361200             4.20258400
            2      3.63600700             6.29279000
            f-g potential
              2
            2      8.61622800            -9.67356800
            2      8.62943500           -12.89984700
            -PD     0
            PD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.79882500           240.26278900
            2      5.80052800            34.72996100
            p-g potential
              4
            2     11.87469700            56.74692900
            2     11.47433500           113.44441700
            2      5.51599900             9.34563900
            2      5.24804300            18.34544700
            d-g potential
              4
            2      8.50221200            28.59555400
            2      7.98332400            43.45392100
            2      3.10762800             1.85228600
            2      2.47673400             1.40676500
            f-g potential
              2
            2      9.67957100           -10.98725500
            2      9.69134900           -14.62619000
            -AG     0
            AG-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.5677140            255.0547710
            2      6.9976620             36.9833930
            p-g potential
              4
            2     11.3164960             60.7157050
            2     10.9580630            121.4438890
            2      7.1114000             10.1718660
            2      6.7733190             20.4865640
            d-g potential
              4
            2      8.9284370             29.5049380
            2     11.1025670             44.0187360
            2      5.5432120              5.3683330
            2      3.9288350              7.4083750
            f-g potential
              2
            2     11.0129130            -12.6234030
            2     11.0198980            -16.7643270
            -CD     0
            CD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     13.3551760            270.0394480
            2      7.3083780             38.8777660
            p-g potential
              4
            2     12.6597280             64.6074700
            2     12.2896390            129.2194450
            2      6.7861760             10.6225580
            2      6.4007430             21.2650460
            d-g potential
              4
            2     11.1617220             31.6639650
            2     11.2196150             47.4892160
            2      4.5377330              5.1862000
            2      4.3357270              7.5660630
            f-g potential
              2
            2     11.4789860            -12.6327850
            2     11.4870270            -16.7601710
            -IN     0
            IN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     15.3928220            281.1223500
            2      8.0558640             61.9014700
            p-g potential
              4
            2     13.9286720             67.4621540
            2     13.3472340            134.9492500
            2      7.6141320             14.7461400
            2      7.3183650             29.6392620
            d-g potential
              4
            2     14.0347150             35.4932540
            2     14.5116160             53.1787730
            2      5.5505500              9.1772810
            2      5.0594150             12.3924100
            f-g potential
              2
            2     12.5390560            -13.7280780
            2     12.5525610            -18.2068660
            -SN     0
            SN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     17.4204140            279.9886820
            2      7.6311550             62.3778100
            p-g potential
              4
            2     16.1310240             66.1625230
            2     15.6280770            132.1743960
            2      7.3256080             16.3394170
            2      6.9425190             32.4889590
            d-g potential
              4
            2     15.5149760             36.3874410
            2     15.1881600             54.5078410
            2      5.4560240              8.6968230
            2      5.3631050             12.8402080
            f-g potential
              2
            2     12.2823480            -12.5763330
            2     12.2721500            -16.5959440
            -SB     0
            SB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.3308650            281.0715810
            2      8.5565420             61.7166040
            p-g potential
              4
            2     14.4703370             67.4573800
            2     13.8161940            134.9335030
            2      8.4249240             14.7163440
            2      8.0927280             29.5185120
            d-g potential
              4
            2     14.8863310             35.4478150
            2     15.1463190             53.1434660
            2      5.9082670              9.1792230
            2      5.5943220             13.2402530
            f-g potential
              2
            2     14.4449780            -15.3668010
            2     14.4492950            -20.2961380
            -TE     0
            TE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.8144730            281.0458430
            2      8.7935260             61.6206560
            p-g potential
              4
            2     14.8778010             67.4494640
            2     14.2697310            134.9043040
            2      8.7244350             14.6895470
            2      8.2915150             29.4150630
            d-g potential
              4
            2     15.2050080             35.4320570
            2     15.2258480             53.1356870
            2      6.0717690              9.0698020
            2      5.8047600             13.1223040
            f-g potential
              2
            2     15.2061680            -15.7454500
            2     15.2017020            -20.7424480
            -I     0
            I-ECP     4     28
            g potential
              1
            2      1.00000000             0.00000000
            s-g potential
              3
            2     40.03337600            49.98964900
            2     17.30057600           281.00655600
            2      8.85172000            61.41673900
            p-g potential
              4
            2     15.72014100            67.41623900
            2     15.20822200           134.80769600
            2      8.29418600            14.56654800
            2      7.75394900            28.96842200
            d-g potential
              4
            2     13.81775100            35.53875600
            2     13.58780500            53.33975900
            2      6.94763000             9.71646600
            2      6.96009900            14.97750000
            f-g potential
              4
            2     18.52295000           -20.17661800
            2     18.25103500           -26.08807700
            2      7.55790100            -0.22043400
            2      7.59740400            -0.22164600
            -XE     0
            XE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              3
            2     40.0051840             49.9979620
            2     17.8122140            281.0133030
            2      9.3041500             61.5382550
            p-g potential
              4
            2     15.7017720             67.4391420
            2     15.2586080            134.8747110
            2      9.2921840             14.6633000
            2      8.5590030             29.3547300
            d-g potential
              6
            2     15.1856000             35.4369080
            2     14.2845000             53.1957720
            2      7.1218890              9.0462320
            2      6.9919630             13.2236810
            2      0.6239460              0.0848530
            2      0.6472840              0.0441550
            f-g potential
              4
            2     20.8815570            -23.0892950
            2     20.7834430            -30.0744750
            2      5.2533890             -0.2882270
            2      5.3611880             -0.3869240
            -HF     0
            HF-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.24885600           478.23740400
            4     10.72912700             0.38802400
            2      1.96485600            -1.07123200
            p-h potential
              6
            2      8.68346200           101.04681800
            2      7.91692000           212.19776100
            4      9.37924300             0.13264600
            4      8.24420900             0.45310800
            2      1.59668600            -0.40791400
            2      1.71028100            -0.56181700
            d-h potential
              6
            2      5.18955700            43.11546700
            2      5.25322900            65.93473200
            4      5.93787100             0.02591200
            4      5.71290600             0.03374100
            2      1.01485600            -0.28057900
            2      0.47371200            -0.08484900
            f-h potential
              2
            2      1.91260800             4.81180100
            2      1.88074000             6.41857400
            g-h potential
              2
            2      2.72418000            -4.63658500
            2      2.70895300            -5.76728800
            -TA     0
            TA-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.31806900           454.60064900
            4     10.54026700             2.83797500
            2      2.57472600            -0.81473600
            p-h potential
              6
            2      8.74334200            96.91078300
            2      7.91622300           195.85043200
            4      9.27573600             4.81252400
            4      8.10167500             6.33851200
            2      2.07712700            -0.45917300
            2      2.75037200            -0.64458600
            d-h potential
              6
            2      5.44731400            45.96997600
            2      5.21254500            69.63897200
            4      5.88435800             0.80293300
            4      5.64957900             0.42959500
            2      1.38818000            -0.30722700
            2      1.29439800            -0.46156000
            f-h potential
              2
            2      2.16127500             5.75777300
            2      2.12593900             7.67816700
            g-h potential
              2
            2      3.14592000            -5.68406600
            2      3.12794200            -7.06231300
            -W     0
            W-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     11.06379500           419.22759900
            2      8.21764100            41.19130700
            p-h potential
              6
            2      9.33818800           107.34811000
            2      8.43044800           214.69956800
            4      9.49002000             0.02544200
            4      9.48994700             0.05189500
            2      1.88299700            -0.11718400
            2      1.90697200             0.29668900
            d-h potential
              6
            2      6.20543300            58.88127900
            2      6.12215700            98.68355600
            4      6.27455600             0.01953700
            4      6.22637500             0.02195600
            2      1.96387500            -0.08857700
            2      1.88828700            -0.20972600
            f-h potential
              2
            2      2.30795300             6.23247200
            2      2.27060900             8.31134500
            g-h potential
              2
            2      3.58349100            -6.80294400
            2      3.56251500            -8.44323200
            -RE     0
            RE-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     12.16381400           421.97030000
            2      7.10759500            50.13443900
            p-h potential
              4
            2      9.68459700            88.48191000
            2      9.47621400           176.78722000
            2      7.66806600            10.43433800
            2      5.05515600            20.45874300
            d-h potential
              4
            2      6.50988800            43.16243100
            2      6.09121600            64.76775900
            2      4.16400600             5.34030100
            2      4.40737900             8.24333200
            f-h potential
              2
            2      2.56265800             7.24454300
            2      2.52154900             9.65926600
            g-h potential
              2
            2      4.03459900            -7.97494000
            2      4.00962800            -9.88273600
            -OS     0
            OS-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.00200100           424.39037600
            2      6.96276300            57.12250300
            p-h potential
              4
            2     10.49894100            88.27900300
            2      9.99252300           176.48606400
            2      6.58824800            11.71501200
            2      5.03716700            22.91500600
            d-h potential
              4
            2      7.08344100            44.77770800
            2      6.72117900            67.15364800
            2      3.79462600             5.55038700
            2      3.74812500             8.22010400
            f-h potential
              2
            2      2.82627600             8.32833200
            2      2.78119800            11.10310200
            g-h potential
              2
            2      4.49698100            -9.18134300
            2      4.46773800           -11.36160400
            -IR     0
            IR-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.83147400           426.95814900
            2      7.04791400            65.33881300
            p-h potential
              4
            2     11.10643300            88.07544200
            2     10.45655200           176.12477000
            2      6.37961400            12.68226000
            2      5.06472600            24.63594900
            d-h potential
              4
            2      7.54875400            46.43325800
            2      7.26530800            69.63807400
            2      3.80096900             6.15024800
            2      3.71828000             9.46356000
            f-h potential
              2
            2      3.09870600             9.48361000
            2      3.04946100            12.64274200
            g-h potential
              2
            2      4.96979000           -10.41069700
            2      4.93561400           -12.86319600
            -PT     0
            PT-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     14.60450000           429.64608700
            2      7.21828700            73.15688400
            p-h potential
              4
            2     11.57716200            88.02291700
            2     10.88384300           175.99819600
            2      6.42440300            13.68227400
            2      5.22419800            27.41465100
            d-h potential
              4
            2      7.69961000            43.55785200
            2      7.55080800            65.36910800
            2      3.96116400             7.01859600
            2      3.87277700            11.39173300
            f-h potential
              2
            2      3.37986900            10.71022000
            2      3.32625500            14.27812500
            g-h potential
              2
            2      5.45202000           -11.65174900
            2      5.41258500           -14.37552500
            -AU     0
            AU-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.5232180            426.6418670
            2      6.2643840             36.8006680
            p-h potential
              4
            2     11.4138670             87.0020910
            2     10.3292150            174.0043700
            2      5.7074240              8.8706100
            2      4.8281650             17.9024380
            d-h potential
              4
            2      7.4309630             49.8836550
            2      8.3219900             74.6845490
            2      4.6096420              6.4862270
            2      3.5115070              9.5468210
            f-h potential
              2
            2      3.0846390              8.7916400
            2      3.0247430             11.6584560
            g-h potential
              2
            2      3.9784420             -5.2343370
            2      4.0114910             -6.7381420
            -HG     0
            HG-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.4130710            275.7747970
            2      6.8979130             49.2678980
            p-h potential
              4
            2     11.3103200             80.5069840
            2     10.2107730            161.0348240
            2      5.9398040              9.0834160
            2      5.0197550             18.3677730
            d-h potential
              4
            2      8.4078950             51.1372560
            2      8.2140860             76.7074590
            2      4.0126120              6.5618210
            2      3.7953980              9.8180700
            f-h potential
              2
            2      3.2731060              9.4290010
            2      3.2083210             12.4948560
            g-h potential
              2
            2      4.4852960             -6.3384140
            2      4.5132000             -8.0998630
            -TL     0
            TL-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.1678050            281.2846630
            2      8.2949090             62.4342510
            p-h potential
              4
            2      7.1514920              4.6334080
            2      5.1728650              9.3417560
            2      9.8910720             72.2992530
            2      9.0033910            144.5580370
            d-h potential
              4
            2      7.1302180             35.9430390
            2      6.9269060             53.9095930
            2      5.4175700             10.3819390
            2      5.1386810             15.5838220
            f-h potential
              4
            2      5.6263990             15.8254880
            2      5.5489520             21.1040210
            2      2.8749460              2.9151270
            2      2.8214510              3.8969030
            g-h potential
              4
            2      6.6790570             -7.4945340
            2      6.7068350             -9.5405750
            2      7.2092840             -7.7979920
            2      7.0709640             -9.2595240
            -PB     0
            PB-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.2963030            281.2854990
            2      8.6326340             62.5202170
            p-h potential
              4
            2     10.2417900             72.2768970
            2      8.9241760            144.5910830
            2      6.5813420              4.7586930
            2      6.2554030              9.9406210
            d-h potential
              4
            2      7.7543360             35.8485070
            2      7.7202810             53.7243420
            2      4.9702640             10.1152560
            2      4.5637890             14.8337310
            f-h potential
              2
            2      3.8875120             12.2098920
            2      3.8119630             16.1902910
            g-h potential
              2
            2      5.6915770             -9.0966650
            2      5.7155670            -11.5319960
            -BI     0
            BI-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.0430900            283.2642270
            2      8.2216820             62.4719590
            p-h potential
              4
            2     10.4677770             72.0014990
            2      9.1189010            144.0022770
            2      6.7547910              5.0079450
            2      6.2525920              9.9915500
            d-h potential
              4
            2      8.0814740             36.3962590
            2      7.8905950             54.5976640
            2      4.9555560              9.9842940
            2      4.7045590             14.9814850
            f-h potential
              2
            2      4.2145460             13.7133830
            2      4.1334000             18.1943080
            g-h potential
              2
            2      6.2057090            -10.2474430
            2      6.2277820            -12.9557100
            -PO     0
            PO-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.2772270            283.2447060
            2      8.3995180             62.3964610
            p-h potential
              4
            2     10.6656820             71.9917160
            2      9.2837530            143.9718710
            2      6.8727490              4.9496150
            2      6.3261500              9.7404990
            d-h potential
              4
            2      8.2148660             36.3783830
            2      8.0086960             54.5627150
            2      5.0552270              9.8894990
            2      4.7825530             14.6938770
            f-h potential
              4
            2      5.0132700             17.4282950
            2      4.9846400             23.3803530
            2      1.3267600              0.1633920
            2      1.5287580              0.3245660
            g-h potential
              2
            2      6.7715260            -11.5632940
            2      6.7779250            -14.5097880
            -AT     0
            AT-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.2008320             49.9571580
            2     13.6123060            283.2103710
            2      8.5293400             62.2810520
            p-h potential
              4
            2     10.8540650             71.9823710
            2      9.4682290            143.9035320
            2      7.0311140              4.8717590
            2      6.1438580              8.9830590
            d-h potential
              4
            2      8.3135150             36.3632370
            2      7.9989650             54.5489700
            2      5.1799660              9.7762850
            2      4.9422260             14.2647550
            f-h potential
              4
            2      5.8121630             19.8701980
            2      5.7537150             26.4164520
            2      2.5134720              0.9949700
            2      2.5362610              1.4907010
            g-h potential
              4
            2      9.8957780            -22.2232030
            2      9.7373340            -26.7154760
            2      3.0133310             -0.3730440
            2      3.0977630             -0.4859460
            -RN     0
            RN-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.1512420             49.9655510
            2     14.5212410            283.0700000
            2      8.0520380             62.0028700
            p-h potential
              4
            2     11.0099420             71.9691190
            2      9.6176250            143.8605590
            2      7.3360080              4.7147610
            2      6.4062530              9.0130650
            d-h potential
              4
            2      8.3692200             36.3683650
            2      8.1169750             54.5517610
            2      5.3536560              9.6344870
            2      5.0972120             14.3879020
            f-h potential
              4
            2      6.3485710             21.7972900
            2      6.2959490             28.9468050
            2      2.8821180              1.4473650
            2      2.9080480              2.1779640
            g-h potential
              4
            2     11.0152050            -25.2280950
            2     10.9098530            -30.5661210
            2      3.4827610             -0.5748000
            2      3.6004180             -0.7795380
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/wB97XD_augccpVDZ/Gau-15218.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/wB97XD_augccpVDZ/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=     15234.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                12-Aug-2021 
 ******************************************
 %NoSave
 %nproc=8
 Will use up to    8 processors via shared memory.
 %mem=40GB
 %chk=21_phenylethanol_conformer02_STD_wB97XD_augccpVDZ
 ----------------------------------------------------------------------
 #P wB97XD/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=120) Polar=ROA
  Guess=Read Geom=Check CPHF=RdFreq
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=-58,75=-5,116=-2/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Thu Aug 12 22:10:07 2021, MaxMem=  5368709120 cpu:               1.6 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "21_phenylethanol_conformer02_STD_wB97XD_augccpVDZ.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  O                                                -2.283987000000      1.156120000000     -0.373456000000
  C                                                -1.655795000000     -0.121273000000     -0.366360000000
  H                                                -2.318612000000      1.484471000000      0.532599000000
  H                                                -1.860649000000     -0.525090000000     -1.361656000000
  C                                                -2.302509000000     -1.029603000000      0.677627000000
  C                                                -0.147700000000     -0.039181000000     -0.192779000000
  H                                                -2.124690000000     -0.633553000000      1.681464000000
  H                                                -1.888324000000     -2.037154000000      0.643744000000
  H                                                -3.377784000000     -1.087470000000      0.505904000000
  C                                                 0.491776000000      1.164959000000      0.083802000000
  C                                                 1.871834000000      1.212975000000      0.256826000000
  C                                                 2.632604000000      0.057673000000      0.146221000000
  C                                                 2.004188000000     -1.148889000000     -0.145245000000
  C                                                 0.627734000000     -1.194232000000     -0.312182000000
  H                                                -0.089333000000      2.074672000000      0.140318000000
  H                                                 2.351589000000      2.159628000000      0.471088000000
  H                                                 3.706229000000      0.095350000000      0.277421000000
  H                                                 2.588377000000     -2.054912000000     -0.244841000000
  H                                                 0.152296000000     -2.139482000000     -0.545858000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 NAtoms=     19 NQM=       19 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          16          12           1           1          12          12           1           1           1          12
 AtmWgt=  15.9949146  12.0000000   1.0078250   1.0078250  12.0000000  12.0000000   1.0078250   1.0078250   1.0078250  12.0000000
 NucSpn=           0           0           1           1           0           0           1           1           1           0
 AtZEff=   5.6000000   3.6000000   1.0000000   1.0000000   3.6000000   3.6000000   1.0000000   1.0000000   1.0000000   3.6000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   2.7928460   2.7928460   0.0000000   0.0000000   2.7928460   2.7928460   2.7928460   0.0000000
 AtZNuc=   8.0000000   6.0000000   1.0000000   1.0000000   6.0000000   6.0000000   1.0000000   1.0000000   1.0000000   6.0000000

  Atom        11          12          13          14          15          16          17          18          19
 IAtWgt=          12          12          12          12           1           1           1           1           1
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           0           0           0           0           1           1           1           1           1
 AtZEff=   3.6000000   3.6000000   3.6000000   3.6000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 Using perturbation frequencies:    0.085645
 Leave Link  101 at Thu Aug 12 22:10:07 2021, MaxMem=  5368709120 cpu:               1.0 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          8           0       -2.283987    1.156120   -0.373456
      2          6           0       -1.655795   -0.121273   -0.366360
      3          1           0       -2.318612    1.484471    0.532599
      4          1           0       -1.860649   -0.525090   -1.361656
      5          6           0       -2.302509   -1.029603    0.677627
      6          6           0       -0.147700   -0.039181   -0.192779
      7          1           0       -2.124690   -0.633553    1.681464
      8          1           0       -1.888324   -2.037154    0.643744
      9          1           0       -3.377784   -1.087470    0.505904
     10          6           0        0.491776    1.164959    0.083802
     11          6           0        1.871834    1.212975    0.256826
     12          6           0        2.632604    0.057673    0.146221
     13          6           0        2.004188   -1.148889   -0.145245
     14          6           0        0.627734   -1.194232   -0.312182
     15          1           0       -0.089333    2.074672    0.140318
     16          1           0        2.351589    2.159628    0.471088
     17          1           0        3.706229    0.095350    0.277421
     18          1           0        2.588377   -2.054912   -0.244841
     19          1           0        0.152296   -2.139482   -0.545858
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  O    0.000000
     2  C    1.423520   0.000000
     3  H    0.964339   1.955982   0.000000
     4  H    1.995550   1.093457   2.799333   0.000000
     5  C    2.425387   1.527485   2.518305   2.146730   0.000000
     6  C    2.454610   1.520270   2.749645   2.129924   2.526211
     7  H    2.729652   2.162378   2.417338   3.056479   1.093693
     8  H    3.374647   2.178297   3.549555   2.511719   1.089888
     9  H    2.646387   2.158617   2.781625   2.470982   1.090437
    10  C    2.813187   2.543443   2.863876   3.237208   3.602327
    11  C    4.203729   3.822662   4.208277   4.424001   4.757244
    12  C    5.064535   4.322630   5.167164   4.775210   5.081329
    13  C    4.873766   3.807934   5.106922   4.099481   4.386227
    14  C    3.742463   2.523625   4.070634   2.782301   3.097281
    15  H    2.433970   2.744577   2.339211   3.486008   3.850113
    16  H    4.817556   4.686465   4.719152   5.320678   5.645749
    17  H    6.118134   5.404876   6.188173   5.836236   6.126224
    18  H    5.836711   4.665482   6.100015   4.835438   5.081631
    19  H    4.101974   2.715618   4.516801   2.706240   2.958854
                    6          7          8          9         10
     6  C    0.000000
     7  H    2.788289   0.000000
     8  H    2.778748   1.761484   0.000000
     9  H    3.467061   1.777140   1.771833   0.000000
    10  C    1.391179   3.554302   4.028888   4.497233   0.000000
    11  C    2.418379   4.627252   4.985161   5.736948   1.391691
    12  C    2.802569   5.046445   5.007456   6.129069   2.411042
    13  C    2.421639   4.544235   4.069787   5.421567   2.773760
    14  C    1.396316   3.444535   2.820436   4.089601   2.396053
    15  H    2.140732   3.721867   4.516295   4.576757   1.080953
    16  H    3.394396   5.413312   5.968220   6.585634   2.144356
    17  H    3.884837   6.041709   5.998399   7.185716   3.393267
    18  H    3.398823   5.286200   4.564072   6.090537   3.856334
    19  H    2.150797   3.523273   2.364266   3.830718   3.380983
                   11         12         13         14         15
    11  C    0.000000
    12  C    1.387706   0.000000
    13  C    2.399496   1.391277   0.000000
    14  C    2.768790   2.407676   1.387281   0.000000
    15  H    2.145291   3.387811   3.854312   3.377081   0.000000
    16  H    1.082693   2.145396   3.383318   3.851437   2.464696
    17  H    2.148142   1.082268   2.150284   3.389363   4.282850
    18  H    3.382926   2.148930   1.082624   2.142295   4.936795
    19  H    3.852283   3.385025   2.138053   1.083579   4.276484
                   16         17         18         19
    16  H    0.000000
    17  H    2.476651   0.000000
    18  H    4.281468   2.479108   0.000000
    19  H    4.934918   4.278166   2.456065   0.000000
 Stoichiometry    C8H10O
 Framework group  C1[X(C8H10O)]
 Deg. of freedom    51
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 1.70D-16
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          8           0       -2.283987    1.156120   -0.373456
      2          6           0       -1.655795   -0.121273   -0.366360
      3          1           0       -2.318612    1.484471    0.532599
      4          1           0       -1.860649   -0.525090   -1.361656
      5          6           0       -2.302509   -1.029603    0.677627
      6          6           0       -0.147700   -0.039181   -0.192779
      7          1           0       -2.124690   -0.633553    1.681464
      8          1           0       -1.888324   -2.037154    0.643744
      9          1           0       -3.377784   -1.087470    0.505904
     10          6           0        0.491776    1.164959    0.083802
     11          6           0        1.871834    1.212975    0.256826
     12          6           0        2.632604    0.057673    0.146221
     13          6           0        2.004188   -1.148889   -0.145245
     14          6           0        0.627734   -1.194232   -0.312182
     15          1           0       -0.089333    2.074672    0.140318
     16          1           0        2.351589    2.159628    0.471088
     17          1           0        3.706229    0.095350    0.277421
     18          1           0        2.588377   -2.054912   -0.244841
     19          1           0        0.152296   -2.139482   -0.545858
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           3.4642690           1.1625108           0.9300830
 Leave Link  202 at Thu Aug 12 22:10:08 2021, MaxMem=  5368709120 cpu:               0.1 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:       3      4      7      8      9     15     16     17     18     19
 S 4 1.00
     Exponent=  1.3010000000D+01 Coefficients=  1.9685000000D-02
     Exponent=  1.9620000000D+00 Coefficients=  1.3797700000D-01
     Exponent=  4.4460000000D-01 Coefficients=  4.7814800000D-01
     Exponent=  1.2200000000D-01 Coefficients=  5.0124000000D-01
 S 1 1.00
     Exponent=  1.2200000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.9740000000D-02 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  7.2700000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.4100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       2      5      6     10     11     12     13     14
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients=  6.9200000000D-04
     Exponent=  1.0000000000D+03 Coefficients=  5.3290000000D-03
     Exponent=  2.2800000000D+02 Coefficients=  2.7077000000D-02
     Exponent=  6.4710000000D+01 Coefficients=  1.0171800000D-01
     Exponent=  2.1060000000D+01 Coefficients=  2.7474000000D-01
     Exponent=  7.4950000000D+00 Coefficients=  4.4856400000D-01
     Exponent=  2.7970000000D+00 Coefficients=  2.8507400000D-01
     Exponent=  5.2150000000D-01 Coefficients=  1.5204000000D-02
     Exponent=  1.5960000000D-01 Coefficients= -3.1910000000D-03
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients= -1.4600000000D-04
     Exponent=  1.0000000000D+03 Coefficients= -1.1540000000D-03
     Exponent=  2.2800000000D+02 Coefficients= -5.7250000000D-03
     Exponent=  6.4710000000D+01 Coefficients= -2.3312000000D-02
     Exponent=  2.1060000000D+01 Coefficients= -6.3955000000D-02
     Exponent=  7.4950000000D+00 Coefficients= -1.4998100000D-01
     Exponent=  2.7970000000D+00 Coefficients= -1.2726200000D-01
     Exponent=  5.2150000000D-01 Coefficients=  5.4452900000D-01
     Exponent=  1.5960000000D-01 Coefficients=  5.8049600000D-01
 S 1 1.00
     Exponent=  1.5960000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  4.6900000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  9.4390000000D+00 Coefficients=  3.8109000000D-02
     Exponent=  2.0020000000D+00 Coefficients=  2.0948000000D-01
     Exponent=  5.4560000000D-01 Coefficients=  5.0855700000D-01
     Exponent=  1.5170000000D-01 Coefficients=  4.6884200000D-01
 P 1 1.00
     Exponent=  1.5170000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  4.0410000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  5.5000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.5100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients=  7.1000000000D-04
     Exponent=  1.7590000000D+03 Coefficients=  5.4700000000D-03
     Exponent=  4.0080000000D+02 Coefficients=  2.7837000000D-02
     Exponent=  1.1370000000D+02 Coefficients=  1.0480000000D-01
     Exponent=  3.7030000000D+01 Coefficients=  2.8306200000D-01
     Exponent=  1.3270000000D+01 Coefficients=  4.4871900000D-01
     Exponent=  5.0250000000D+00 Coefficients=  2.7095200000D-01
     Exponent=  1.0130000000D+00 Coefficients=  1.5458000000D-02
     Exponent=  3.0230000000D-01 Coefficients= -2.5850000000D-03
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients= -1.6000000000D-04
     Exponent=  1.7590000000D+03 Coefficients= -1.2630000000D-03
     Exponent=  4.0080000000D+02 Coefficients= -6.2670000000D-03
     Exponent=  1.1370000000D+02 Coefficients= -2.5716000000D-02
     Exponent=  3.7030000000D+01 Coefficients= -7.0924000000D-02
     Exponent=  1.3270000000D+01 Coefficients= -1.6541100000D-01
     Exponent=  5.0250000000D+00 Coefficients= -1.1695500000D-01
     Exponent=  1.0130000000D+00 Coefficients=  5.5736800000D-01
     Exponent=  3.0230000000D-01 Coefficients=  5.7275900000D-01
 S 1 1.00
     Exponent=  3.0230000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  7.8960000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  1.7700000000D+01 Coefficients=  4.3018000000D-02
     Exponent=  3.8540000000D+00 Coefficients=  2.2891300000D-01
     Exponent=  1.0460000000D+00 Coefficients=  5.0872800000D-01
     Exponent=  2.7530000000D-01 Coefficients=  4.6053100000D-01
 P 1 1.00
     Exponent=  2.7530000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  6.8560000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1850000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  3.3200000000D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 Ernie:  27 primitive shells out of 332 were deleted.
 There are   315 symmetry adapted cartesian basis functions of A   symmetry.
 There are   297 symmetry adapted basis functions of A   symmetry.
   297 basis functions,   543 primitive gaussians,   315 cartesian basis functions
    33 alpha electrons       33 beta electrons
       nuclear repulsion energy       425.3601437934 Hartrees.
 IExCor= 4639 DFT=T Ex+Corr=wB97XD ExCW=0 ScaHFX=  1.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=121
 HFx  wShort=  0.000000 wLong=  0.200000 cFull=  0.222036 cShort=  0.000000 cLong=  0.777964
 DFx  wShort=  0.000000 wLong=  0.200000 cFull=  0.000000 cShort=  0.000000 cLong=  1.000000
 NAtoms=   19 NActive=   19 NUniq=   19 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 R6Disp:  Grimme-D2 Dispersion energy=       -0.0104104531 Hartrees.
 Nuclear repulsion after empirical dispersion term =      425.3497333403 Hartrees.
 Leave Link  301 at Thu Aug 12 22:10:10 2021, MaxMem=  5368709120 cpu:              17.1 elap:               2.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   297 RedAO= T EigKep=  1.79D-06  NBF=   297
 NBsUse=   297 1.00D-06 EigRej= -1.00D+00 NBFU=   297
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   315   315   315   315   315 MxSgAt=    19 MxSgA2=    19.
 Leave Link  302 at Thu Aug 12 22:10:11 2021, MaxMem=  5368709120 cpu:               3.9 elap:               0.6
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Thu Aug 12 22:10:11 2021, MaxMem=  5368709120 cpu:               0.6 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "21_phenylethanol_conformer02_STD_wB97XD_augccpVDZ.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=    -0.000000    0.000000    0.000000
         Rot=    1.000000    0.000000    0.000000   -0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Thu Aug 12 22:10:12 2021, MaxMem=  5368709120 cpu:               4.0 elap:               0.6
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot=  5368709120 LenX=  5368505071 LenY=  5368405405
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -386.008976619539    
 DIIS: error= 2.08D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -386.008976619539     IErMin= 1 ErrMin= 2.08D-03
 ErrMax= 2.08D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.85D-03 BMatP= 4.85D-03
 IDIUse=3 WtCom= 9.79D-01 WtEn= 2.08D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.377 Goal=   None    Shift=    0.000
 GapD=    0.377 DampG=1.000 DampE=1.000 DampFc=1.0000 IDamp=-1.
 RMSDP=4.96D-02 MaxDP=3.02D+00              OVMax= 1.33D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  4.38D-02    CP:  1.45D+00
 E= -386.012846249407     Delta-E=       -0.003869629868 Rises=F Damp=F
 DIIS: error= 2.46D-04 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -386.012846249407     IErMin= 2 ErrMin= 2.46D-04
 ErrMax= 2.46D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 8.04D-05 BMatP= 4.85D-03
 IDIUse=3 WtCom= 9.98D-01 WtEn= 2.46D-03
 Coeff-Com: -0.490D-01 0.105D+01
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:     -0.489D-01 0.105D+01
 Gap=     0.359 Goal=   None    Shift=    0.000
 RMSDP=8.17D-03 MaxDP=5.17D-01 DE=-3.87D-03 OVMax= 3.92D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  1.56D-03    CP:  1.53D+00  1.16D+00
 E= -386.012942045493     Delta-E=       -0.000095796086 Rises=F Damp=F
 DIIS: error= 2.02D-04 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 3 EnMin= -386.012942045493     IErMin= 3 ErrMin= 2.02D-04
 ErrMax= 2.02D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.94D-05 BMatP= 8.04D-05
 IDIUse=3 WtCom= 9.98D-01 WtEn= 2.02D-03
 Coeff-Com: -0.358D-01 0.475D+00 0.561D+00
 Coeff-En:   0.000D+00 0.000D+00 0.100D+01
 Coeff:     -0.357D-01 0.474D+00 0.561D+00
 Gap=     0.359 Goal=   None    Shift=    0.000
 RMSDP=5.03D-04 MaxDP=3.04D-02 DE=-9.58D-05 OVMax= 1.67D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  8.35D-05    CP:  1.54D+00  1.17D+00  1.08D+00
 E= -386.012978473169     Delta-E=       -0.000036427675 Rises=F Damp=F
 DIIS: error= 4.85D-05 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -386.012978473169     IErMin= 4 ErrMin= 4.85D-05
 ErrMax= 4.85D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.55D-06 BMatP= 4.94D-05
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.834D-03-0.464D-01 0.138D+00 0.909D+00
 Coeff:     -0.834D-03-0.464D-01 0.138D+00 0.909D+00
 Gap=     0.359 Goal=   None    Shift=    0.000
 RMSDP=2.96D-04 MaxDP=1.64D-02 DE=-3.64D-05 OVMax= 5.54D-04

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  6.22D-05    CP:  1.54D+00  1.17D+00  1.14D+00  1.52D+00
 E= -386.012981346362     Delta-E=       -0.000002873194 Rises=F Damp=F
 DIIS: error= 1.59D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -386.012981346362     IErMin= 5 ErrMin= 1.59D-05
 ErrMax= 1.59D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.68D-07 BMatP= 2.55D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.219D-02-0.463D-01 0.160D-02 0.256D+00 0.786D+00
 Coeff:      0.219D-02-0.463D-01 0.160D-02 0.256D+00 0.786D+00
 Gap=     0.359 Goal=   None    Shift=    0.000
 RMSDP=2.73D-05 MaxDP=1.64D-03 DE=-2.87D-06 OVMax= 1.55D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  1.28D-05    CP:  1.54D+00  1.17D+00  1.15D+00  1.60D+00  1.28D+00
 E= -386.012981563011     Delta-E=       -0.000000216649 Rises=F Damp=F
 DIIS: error= 5.17D-06 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -386.012981563011     IErMin= 6 ErrMin= 5.17D-06
 ErrMax= 5.17D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.21D-08 BMatP= 1.68D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.713D-03-0.110D-01-0.835D-02 0.157D-01 0.279D+00 0.723D+00
 Coeff:      0.713D-03-0.110D-01-0.835D-02 0.157D-01 0.279D+00 0.723D+00
 Gap=     0.359 Goal=   None    Shift=    0.000
 RMSDP=1.67D-05 MaxDP=9.65D-04 DE=-2.17D-07 OVMax= 7.91D-05

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  4.81D-06    CP:  1.54D+00  1.17D+00  1.15D+00  1.65D+00  1.33D+00
                    CP:  1.02D+00
 E= -386.012981591118     Delta-E=       -0.000000028106 Rises=F Damp=F
 DIIS: error= 1.72D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -386.012981591118     IErMin= 7 ErrMin= 1.72D-06
 ErrMax= 1.72D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.74D-09 BMatP= 2.21D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.129D-04 0.207D-02-0.296D-02-0.297D-01-0.790D-02 0.251D+00
 Coeff-Com:  0.788D+00
 Coeff:     -0.129D-04 0.207D-02-0.296D-02-0.297D-01-0.790D-02 0.251D+00
 Coeff:      0.788D+00
 Gap=     0.359 Goal=   None    Shift=    0.000
 RMSDP=9.21D-06 MaxDP=5.98D-04 DE=-2.81D-08 OVMax= 2.63D-05

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  1.43D-06    CP:  1.54D+00  1.17D+00  1.15D+00  1.65D+00  1.35D+00
                    CP:  1.11D+00  1.04D+00
 E= -386.012981594991     Delta-E=       -0.000000003873 Rises=F Damp=F
 DIIS: error= 6.22D-07 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -386.012981594991     IErMin= 8 ErrMin= 6.22D-07
 ErrMax= 6.22D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.33D-10 BMatP= 2.74D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.829D-04 0.193D-02-0.115D-03-0.134D-01-0.352D-01 0.165D-01
 Coeff-Com:  0.305D+00 0.725D+00
 Coeff:     -0.829D-04 0.193D-02-0.115D-03-0.134D-01-0.352D-01 0.165D-01
 Coeff:      0.305D+00 0.725D+00
 Gap=     0.359 Goal=   None    Shift=    0.000
 RMSDP=1.98D-06 MaxDP=1.07D-04 DE=-3.87D-09 OVMax= 1.06D-05

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  5.61D-07    CP:  1.54D+00  1.17D+00  1.15D+00  1.65D+00  1.36D+00
                    CP:  1.12D+00  1.08D+00  9.70D-01
 E= -386.012981595529     Delta-E=       -0.000000000538 Rises=F Damp=F
 DIIS: error= 1.27D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -386.012981595529     IErMin= 9 ErrMin= 1.27D-07
 ErrMax= 1.27D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.39D-11 BMatP= 3.33D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.130D-04 0.162D-03 0.199D-03 0.113D-03-0.549D-02-0.149D-01
 Coeff-Com: -0.141D-01 0.118D+00 0.916D+00
 Coeff:     -0.130D-04 0.162D-03 0.199D-03 0.113D-03-0.549D-02-0.149D-01
 Coeff:     -0.141D-01 0.118D+00 0.916D+00
 Gap=     0.359 Goal=   None    Shift=    0.000
 RMSDP=3.50D-07 MaxDP=1.67D-05 DE=-5.38D-10 OVMax= 2.79D-06

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  1.18D-07    CP:  1.54D+00  1.17D+00  1.15D+00  1.65D+00  1.36D+00
                    CP:  1.12D+00  1.09D+00  1.02D+00  1.07D+00
 E= -386.012981595541     Delta-E=       -0.000000000012 Rises=F Damp=F
 DIIS: error= 5.53D-08 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -386.012981595541     IErMin=10 ErrMin= 5.53D-08
 ErrMax= 5.53D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.71D-12 BMatP= 1.39D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.581D-05-0.182D-03 0.813D-04 0.178D-02 0.247D-02-0.671D-02
 Coeff-Com: -0.431D-01-0.497D-01 0.310D+00 0.786D+00
 Coeff:      0.581D-05-0.182D-03 0.813D-04 0.178D-02 0.247D-02-0.671D-02
 Coeff:     -0.431D-01-0.497D-01 0.310D+00 0.786D+00
 Gap=     0.359 Goal=   None    Shift=    0.000
 RMSDP=1.90D-07 MaxDP=1.06D-05 DE=-1.22D-11 OVMax= 1.25D-06

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  4.63D-08    CP:  1.54D+00  1.17D+00  1.15D+00  1.65D+00  1.36D+00
                    CP:  1.11D+00  1.09D+00  1.02D+00  1.12D+00  1.11D+00
 E= -386.012981595527     Delta-E=        0.000000000014 Rises=F Damp=F
 DIIS: error= 2.83D-08 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=10 EnMin= -386.012981595541     IErMin=11 ErrMin= 2.83D-08
 ErrMax= 2.83D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.66D-13 BMatP= 2.71D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.275D-05-0.607D-04-0.723D-05 0.417D-03 0.108D-02 0.205D-03
 Coeff-Com: -0.852D-02-0.252D-01-0.227D-01 0.185D+00 0.869D+00
 Coeff:      0.275D-05-0.607D-04-0.723D-05 0.417D-03 0.108D-02 0.205D-03
 Coeff:     -0.852D-02-0.252D-01-0.227D-01 0.185D+00 0.869D+00
 Gap=     0.359 Goal=   None    Shift=    0.000
 RMSDP=5.07D-08 MaxDP=2.76D-06 DE= 1.41D-11 OVMax= 5.83D-07

 Cycle  12  Pass 1  IDiag  1:
 RMSU=  1.41D-08    CP:  1.54D+00  1.17D+00  1.15D+00  1.65D+00  1.36D+00
                    CP:  1.11D+00  1.09D+00  1.02D+00  1.12D+00  1.20D+00
                    CP:  1.13D+00
 E= -386.012981595516     Delta-E=        0.000000000011 Rises=F Damp=F
 DIIS: error= 1.02D-08 at cycle  12 NSaved=  12.
 NSaved=12 IEnMin=10 EnMin= -386.012981595541     IErMin=12 ErrMin= 1.02D-08
 ErrMax= 1.02D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.19D-14 BMatP= 2.66D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.334D-06 0.160D-04-0.170D-04-0.195D-03-0.177D-03 0.134D-02
 Coeff-Com:  0.513D-02 0.143D-02-0.567D-01-0.882D-01 0.235D+00 0.903D+00
 Coeff:     -0.334D-06 0.160D-04-0.170D-04-0.195D-03-0.177D-03 0.134D-02
 Coeff:      0.513D-02 0.143D-02-0.567D-01-0.882D-01 0.235D+00 0.903D+00
 Gap=     0.359 Goal=   None    Shift=    0.000
 RMSDP=1.07D-08 MaxDP=3.37D-07 DE= 1.07D-11 OVMax= 3.14D-07

 Cycle  13  Pass 1  IDiag  1:
 RMSU=  6.10D-09    CP:  1.54D+00  1.17D+00  1.15D+00  1.65D+00  1.36D+00
                    CP:  1.11D+00  1.09D+00  1.02D+00  1.12D+00  1.21D+00
                    CP:  1.27D+00  1.20D+00
 E= -386.012981595535     Delta-E=       -0.000000000019 Rises=F Damp=F
 DIIS: error= 5.26D-09 at cycle  13 NSaved=  13.
 NSaved=13 IEnMin=10 EnMin= -386.012981595541     IErMin=13 ErrMin= 5.26D-09
 ErrMax= 5.26D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.01D-14 BMatP= 5.19D-14
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.512D-06 0.151D-04-0.522D-05-0.138D-03-0.234D-03 0.521D-03
 Coeff-Com:  0.325D-02 0.414D-02-0.191D-01-0.652D-01-0.385D-01 0.342D+00
 Coeff-Com:  0.773D+00
 Coeff:     -0.512D-06 0.151D-04-0.522D-05-0.138D-03-0.234D-03 0.521D-03
 Coeff:      0.325D-02 0.414D-02-0.191D-01-0.652D-01-0.385D-01 0.342D+00
 Coeff:      0.773D+00
 Gap=     0.359 Goal=   None    Shift=    0.000
 RMSDP=6.13D-09 MaxDP=2.85D-07 DE=-1.90D-11 OVMax= 1.24D-07

 SCF Done:  E(RwB97XD) =  -386.012981596     A.U. after   13 cycles
            NFock= 13  Conv=0.61D-08     -V/T= 2.0061
 KE= 3.836868195358D+02 PE=-1.748270617945D+03 EE= 5.532210834737D+02
 Leave Link  502 at Thu Aug 12 22:14:24 2021, MaxMem=  5368709120 cpu:            2010.4 elap:             251.7
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   297
 NBasis=   297 NAE=    33 NBE=    33 NFC=     0 NFV=     0
 NROrb=    297 NOA=    33 NOB=    33 NVA=   264 NVB=   264

 **** Warning!!: The largest alpha MO coefficient is  0.10926966D+03

 Leave Link  801 at Thu Aug 12 22:14:25 2021, MaxMem=  5368709120 cpu:               0.5 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         5873 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=    5368709120 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.085645
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          19
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 1.45D-13 8.33D-09 XBig12= 1.00D+00 3.44D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 1.45D-13 8.33D-09 XBig12= 2.06D-01 7.49D-02.
     11 vectors produced by pass  2 Test12= 1.45D-13 8.33D-09 XBig12= 3.62D-02 4.60D-02.
     11 vectors produced by pass  3 Test12= 1.45D-13 8.33D-09 XBig12= 2.80D-03 1.13D-02.
     11 vectors produced by pass  4 Test12= 1.45D-13 8.33D-09 XBig12= 2.09D-04 2.81D-03.
     11 vectors produced by pass  5 Test12= 1.45D-13 8.33D-09 XBig12= 9.92D-06 4.70D-04.
     11 vectors produced by pass  6 Test12= 1.45D-13 8.33D-09 XBig12= 4.27D-07 1.14D-04.
     11 vectors produced by pass  7 Test12= 1.45D-13 8.33D-09 XBig12= 1.15D-08 1.95D-05.
     11 vectors produced by pass  8 Test12= 1.45D-13 8.33D-09 XBig12= 2.55D-10 3.26D-06.
      9 vectors produced by pass  9 Test12= 1.45D-13 8.33D-09 XBig12= 4.68D-12 3.39D-07.
      7 vectors produced by pass 10 Test12= 1.45D-13 8.33D-09 XBig12= 9.11D-14 3.34D-08.
      1 vectors produced by pass 11 Test12= 1.45D-13 8.33D-09 XBig12= 6.82D-15 8.34D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 4.97D-14
 Solved reduced A of dimension   116 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.085645:
                1             2             3 
      1  0.128801D+03
      2  0.146082D+01  0.107479D+03
      3  0.197379D+01  0.527271D+01  0.718155D+02
 Isotropic polarizability for W=    0.085645      102.70 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.085645:
                 1             2             3 
      1   0.982494D+02  0.539629D+01  0.696751D+01
      2  -0.445539D+02 -0.143268D+02 -0.129960D+02
      3  -0.536954D+02  0.893054D+01  0.602854D+01
      4  -0.274234D+02  0.737357D+02  0.211509D+02
      5   0.277440D+02  0.225921D+02 -0.233465D+01
      6   0.817180D+01  0.108286D+02 -0.155378D+02
 Dipole-magnetic dipole polarizability for W=    0.085645:
                 1             2             3 
      1  -0.641650D+00  0.486836D+00  0.714743D+01
      2   0.984808D+01  0.888601D+01  0.763436D+00
      3  -0.658469D+01 -0.413442D+02 -0.850869D+01
 DQ contribution to OR G for W=    0.085645:
                 1             2             3 
      1   0.144115D+01  0.238246D+02  0.244684D+02
      2  -0.207765D+02  0.129791D+02  0.513608D+02
      3  -0.328197D+02 -0.118290D+03 -0.144203D+02
 Optical Rotation G' tensor for W=    0.085645:
                 1             2             3 
      1   0.548946D+00 -0.220271D+01 -0.118460D+01
      2  -0.220271D+01 -0.133039D+01  0.177908D+01
      3  -0.118460D+01  0.177908D+01  0.517115D+00
 OR G Eigenvalues:    -3.0340    -0.6324     3.4021  Iso=     0.0881
 Eigenvectors:
   (1)   0.432005   0.855781  -0.284624
   (2)   0.639895  -0.068458   0.765407
   (3)   0.635535  -0.512790  -0.577184
 w=    0.085645 a.u., Optical Rotation Beta=      0.0881 au.
 Molar Mass =    122.1664 grams/mole, [Alpha] ( 5320.0 A) =       34.21 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=   44253 ScalPx= 1.86D+02
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   44253 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 1.54D+03
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 2.42D-14 2.78D-09 XBig12= 1.00D+00 4.64D-01.
     30 vectors produced by pass  1 Test12= 2.42D-14 2.78D-09 XBig12= 2.70D-02 4.21D-02.
     30 vectors produced by pass  2 Test12= 2.42D-14 2.78D-09 XBig12= 1.30D-03 5.81D-03.
     30 vectors produced by pass  3 Test12= 2.42D-14 2.78D-09 XBig12= 1.48D-05 6.36D-04.
     30 vectors produced by pass  4 Test12= 2.42D-14 2.78D-09 XBig12= 1.88D-07 8.17D-05.
     30 vectors produced by pass  5 Test12= 2.42D-14 2.78D-09 XBig12= 1.80D-09 5.76D-06.
     30 vectors produced by pass  6 Test12= 2.42D-14 2.78D-09 XBig12= 1.39D-11 6.46D-07.
     30 vectors produced by pass  7 Test12= 2.42D-14 2.78D-09 XBig12= 1.19D-13 4.10D-08.
      5 vectors produced by pass  8 Test12= 2.42D-14 2.78D-09 XBig12= 1.76D-15 9.32D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 1.55D-15
 Solved reduced A of dimension   245 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   44253 ScalPx= 3.73D+03
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   44253 ScalPx= 3.73D+03
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   44253 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 5.13D+03
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.128801D+03  0.146082D+01  0.197379D+01
      2   0.146082D+01  0.107479D+03  0.527271D+01
      3   0.197379D+01  0.527271D+01  0.718155D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1  -0.641650D+00  0.486836D+00  0.714743D+01
      2   0.984808D+01  0.888601D+01  0.763436D+00
      3  -0.658469D+01 -0.413442D+02 -0.850869D+01
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1   0.982494D+02  0.539629D+01  0.696751D+01
      2  -0.445539D+02 -0.143268D+02 -0.129960D+02
      3  -0.536954D+02  0.893054D+01  0.602854D+01
      4  -0.274234D+02  0.737357D+02  0.211509D+02
      5   0.277440D+02  0.225921D+02 -0.233465D+01
      6   0.817180D+01  0.108286D+02 -0.155378D+02
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    57 ND12= 1 LenFil=    2055:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.192228D+01  0.229784D+01 -0.765747D+00  0.139683D+01 -0.235690D+01
      2   0.229784D+01 -0.135241D+01  0.102381D+01 -0.235690D+01  0.252893D+01
      3  -0.765747D+00  0.102381D+01  0.150390D+00  0.134404D+01 -0.228466D+01
                 6             7             8             9            10 
      1   0.134404D+01 -0.169327D+01  0.144579D+01 -0.415694D+00  0.389451D+01
      2  -0.228466D+01  0.144579D+01 -0.277152D+01 -0.775266D+00  0.171742D+01
      3  -0.175060D+01 -0.415694D+00 -0.775266D+00 -0.469549D+01 -0.470175D-01
                11            12            13            14            15 
      1   0.171742D+01 -0.470175D-01  0.625865D+01  0.406142D+01 -0.147969D+01
      2   0.186547D+01 -0.116863D+01  0.406142D+01  0.211749D-01  0.578135D+00
      3  -0.116863D+01  0.126154D+01 -0.147969D+01  0.578135D+00  0.451856D+01
                16            17            18            19            20 
      1  -0.461276D+00 -0.157174D+01  0.389891D+01 -0.657083D+00  0.454660D+00
      2  -0.157174D+01 -0.555681D+00  0.340150D+01  0.454660D+00 -0.529760D+00
      3   0.389891D+01  0.340150D+01  0.502980D+01  0.359300D+00 -0.240324D+00
                21            22            23            24            25 
      1   0.359300D+00  0.116513D+01 -0.846925D+00 -0.486612D+00  0.201722D+01
      2  -0.240324D+00 -0.846925D+00  0.233044D+01  0.112445D+01 -0.111708D+01
      3  -0.521942D+00 -0.486612D+00  0.112445D+01  0.169424D+01 -0.127333D+01
                26            27            28            29            30 
      1  -0.111708D+01 -0.127333D+01 -0.202570D+01 -0.722206D+00 -0.164855D+01
      2   0.280512D+01  0.218688D+01 -0.722206D+00 -0.589510D+00 -0.196353D+00
      3   0.218688D+01  0.438430D+01 -0.164855D+01 -0.196353D+00 -0.143928D+01
                31            32            33            34            35 
      1  -0.269397D+01 -0.160634D+01 -0.592124D+00 -0.412348D+01 -0.580456D+00
      2  -0.160634D+01 -0.120690D+01 -0.140633D+01 -0.580456D+00 -0.151289D+01
      3  -0.592124D+00 -0.140633D+01 -0.232866D+01 -0.287912D+01 -0.182034D+01
                36            37            38            39            40 
      1  -0.287912D+01  0.814508D+01  0.691437D+00  0.170722D+01 -0.281729D+01
      2  -0.182034D+01  0.691437D+00 -0.295327D+01  0.923942D+00 -0.361857D+01
      3  -0.734569D+01  0.170722D+01  0.923942D+00 -0.180835D+01  0.161869D+01
                41            42            43            44            45 
      1  -0.361857D+01  0.161869D+01  0.521708D+01  0.223088D+01 -0.214433D+01
      2   0.286304D+01  0.501928D+00  0.223088D+01  0.105159D+01 -0.305466D+01
      3   0.501928D+00 -0.338135D+01 -0.214433D+01 -0.305466D+01 -0.435594D+01
                46            47            48            49            50 
      1  -0.164599D+02 -0.241911D+01 -0.555010D+00 -0.324014D+01  0.208386D+01
      2  -0.241911D+01 -0.276863D+01 -0.115161D+00  0.208386D+01 -0.183998D+00
      3  -0.555010D+00 -0.115161D+00 -0.202828D+01  0.111136D+01  0.522060D-01
                51            52            53            54            55 
      1   0.111136D+01 -0.598038D+00  0.927427D+00 -0.373769D+01 -0.371636D+00
      2   0.522060D-01  0.927427D+00 -0.708485D-01 -0.542757D+00  0.172316D+00
      3  -0.441115D+00 -0.373769D+01 -0.542757D+00 -0.153200D+01  0.558675D+00
                56            57            58            59            60 
      1   0.172316D+00  0.558675D+00  0.104140D+01  0.185311D+00 -0.527638D+00
      2   0.609157D+00 -0.106796D+00  0.185311D+00  0.521493D+00  0.997747D+00
      3  -0.106796D+00  0.108945D+01 -0.527638D+00  0.997747D+00  0.230742D+01
                61            62            63            64            65 
      1   0.125208D+01  0.849163D-01 -0.636152D+00  0.539355D+00 -0.790787D+00
      2   0.849163D-01  0.144890D+01  0.708293D+00 -0.790787D+00  0.167352D+01
      3  -0.636152D+00  0.708293D+00  0.712151D+01 -0.272448D+00 -0.369563D+00
                66            67            68            69            70 
      1  -0.272448D+00 -0.186608D+01  0.482700D+00  0.129718D+00 -0.569458D+00
      2  -0.369563D+00  0.482700D+00 -0.729438D+01  0.628518D+00 -0.282895D+00
      3   0.605083D+00  0.129718D+00  0.628518D+00 -0.111120D+01  0.201459D+00
                71            72            73            74            75 
      1  -0.282895D+00  0.201459D+00 -0.134426D+02 -0.228155D+01  0.113723D+00
      2   0.205021D+00 -0.634524D+00 -0.228155D+01 -0.140250D+01  0.140451D+00
      3  -0.634524D+00  0.592381D+00  0.113723D+00  0.140451D+00 -0.125466D+01
                76            77            78            79            80 
      1  -0.537401D+00 -0.107809D+01 -0.188543D+00 -0.230901D+01 -0.488013D+00
      2  -0.107809D+01 -0.824412D+00 -0.596685D-01 -0.488013D+00 -0.558339D+00
      3  -0.188543D+00 -0.596685D-01  0.259436D+00 -0.982254D+00  0.655751D-01
                81            82            83            84            85 
      1  -0.982254D+00  0.515870D+01 -0.105473D+01  0.327272D+00  0.823229D+01
      2   0.655751D-01 -0.105473D+01 -0.370918D+01 -0.954368D+00 -0.682050D-01
      3  -0.591707D-01  0.327272D+00 -0.954368D+00 -0.218477D+01  0.253307D-01
                86            87            88            89            90 
      1  -0.682050D-01  0.253307D-01  0.267240D+01 -0.314867D+00 -0.176651D+01
      2   0.186053D+01 -0.468612D+00 -0.314867D+00 -0.120739D+01  0.355345D+01
      3  -0.468612D+00  0.201853D+01 -0.176651D+01  0.355345D+01  0.845163D+00
                91            92            93            94            95 
      1  -0.362411D+01 -0.145571D+00 -0.553617D+00  0.549510D+01  0.174525D+00
      2  -0.145571D+00  0.335995D+01 -0.236886D+00  0.174525D+00  0.146890D+01
      3  -0.553617D+00 -0.236886D+00  0.116607D+01 -0.150178D+00 -0.823590D+00
                96            97            98            99           100 
      1  -0.150178D+00  0.210925D+00 -0.954033D+00  0.219854D+01  0.643835D+01
      2  -0.823590D+00 -0.954033D+00 -0.715700D+00  0.395834D+01  0.346197D+00
      3   0.237537D+01  0.219854D+01  0.395834D+01  0.248459D+01 -0.647263D+00
               101           102           103           104           105 
      1   0.346197D+00 -0.647263D+00  0.849548D+00 -0.955771D+00 -0.119313D+01
      2   0.338968D+01  0.965034D-02 -0.955771D+00 -0.635667D-01 -0.399480D+00
      3   0.965034D-02  0.317605D+01 -0.119313D+01 -0.399480D+00 -0.103978D+00
               106           107           108           109           110 
      1  -0.354432D+00 -0.113295D+01  0.537857D+01 -0.261886D+01 -0.306392D+00
      2  -0.113295D+01  0.357518D+00  0.573966D-01 -0.306392D+00  0.306792D+01
      3   0.537857D+01  0.573966D-01  0.132440D+01 -0.506527D+00  0.905834D+00
               111           112           113           114           115 
      1  -0.506527D+00 -0.607199D+01 -0.247631D+00 -0.802920D+00 -0.205030D+01
      2   0.905834D+00 -0.247631D+00 -0.117472D+01  0.103337D+01 -0.145431D+00
      3   0.176532D+01 -0.802920D+00  0.103337D+01 -0.244437D+01  0.285568D+01
               116           117           118           119           120 
      1  -0.145431D+00  0.285568D+01  0.391364D+01  0.192165D+01  0.626235D+00
      2   0.147023D+01 -0.347156D+01  0.192165D+01 -0.337258D+01  0.735569D-01
      3  -0.347156D+01 -0.117548D+01  0.626235D+00  0.735569D-01 -0.143678D+01
               121           122           123           124           125 
      1  -0.678754D+01 -0.959038D+00  0.207353D+00 -0.153793D+00  0.894153D+00
      2  -0.959038D+00 -0.171316D+01  0.879364D+00  0.894153D+00  0.449739D+00
      3   0.207353D+00  0.879364D+00 -0.154714D+01 -0.941830D+00 -0.335767D+01
               126           127           128           129           130 
      1  -0.941830D+00 -0.454505D+01  0.223823D+01  0.540705D-01  0.186015D+01
      2  -0.335767D+01  0.223823D+01 -0.255769D+01 -0.495305D-01 -0.271782D+01
      3  -0.241205D+01  0.540705D-01 -0.495305D-01 -0.148173D+00 -0.219202D+00
               131           132           133           134           135 
      1  -0.271782D+01 -0.219202D+00 -0.522775D+00  0.225667D-01  0.111796D+00
      2   0.688132D+01  0.438796D+00  0.225667D-01  0.453820D+00  0.294451D-01
      3   0.438796D+00  0.699552D+00  0.111796D+00  0.294451D-01 -0.569260D-01
               136           137           138           139           140 
      1   0.278282D+01  0.290557D+01  0.718332D+00  0.265527D+01  0.400362D+01
      2   0.290557D+01  0.314280D+01  0.737794D+00  0.400362D+01  0.850434D+01
      3   0.718332D+00  0.737794D+00  0.565266D+00  0.818179D+00  0.161866D+01
               141           142           143           144           145 
      1   0.818179D+00  0.724391D+00  0.990111D+00  0.230525D+00  0.128606D+02
      2   0.161866D+01  0.990111D+00  0.177497D+01  0.272365D+00  0.368406D+00
      3   0.107353D+01  0.230525D+00  0.272365D+00  0.186617D+00  0.131984D+01
               146           147           148           149           150 
      1   0.368406D+00  0.131984D+01  0.272249D+00  0.151012D+01  0.336797D+00
      2   0.741314D+00  0.212707D-01  0.151012D+01  0.137871D+00  0.161946D+00
      3   0.212707D-01  0.951267D+00  0.336797D+00  0.161946D+00  0.960493D-01
               151           152           153           154           155 
      1   0.159954D+01  0.360483D+00  0.141879D-01  0.390017D+01 -0.346548D+01
      2   0.360483D+00  0.964439D-01  0.214590D-01 -0.346548D+01  0.350179D+01
      3   0.141879D-01  0.214590D-01  0.128047D+00 -0.311707D+00  0.255933D+00
               156           157           158           159           160 
      1  -0.311707D+00 -0.330942D+01  0.437683D+01  0.601268D+00 -0.174233D+00
      2   0.255933D+00  0.437683D+01 -0.740426D+01 -0.869745D+00  0.391215D+00
      3   0.473912D+00  0.601268D+00 -0.869745D+00 -0.801090D+00  0.172927D-01
               161           162           163           164           165 
      1   0.391215D+00  0.172927D-01 -0.196596D+01 -0.192789D+01 -0.476782D+00
      2  -0.984055D+00 -0.122701D+00 -0.192789D+01 -0.211608D+01 -0.654630D+00
      3  -0.122701D+00 -0.110462D+00 -0.476782D+00 -0.654630D+00 -0.382113D+00
               166           167           168           169           170 
      1  -0.190277D+01 -0.242309D+01 -0.552689D+00 -0.683571D+00 -0.760089D+00
      2  -0.242309D+01 -0.725264D+01 -0.170303D+01 -0.760089D+00 -0.173693D+01
      3  -0.552689D+00 -0.170303D+01 -0.113318D+01 -0.130056D+00 -0.475228D+00
               171 
      1  -0.130056D+00
      2  -0.475228D+00
      3  -0.353621D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.347916D+00 -0.266421D+00  0.754867D+00  0.291315D-01 -0.144924D+00
      2  -0.518418D+00 -0.241506D+00  0.457368D+01 -0.103571D+01  0.408784D+01
      3   0.614661D+01 -0.932949D+01  0.101981D+01  0.216245D+01  0.717228D+01
                 6             7             8             9            10 
      1  -0.737077D+00 -0.428398D+01  0.645286D+01  0.822706D+01 -0.222427D+01
      2   0.326514D+01 -0.976200D+00  0.406758D+01  0.113935D+02  0.123715D+01
      3  -0.552924D+01  0.363932D+00 -0.632872D+01 -0.257196D+01  0.691945D+01
                11            12            13            14            15 
      1  -0.155033D+00  0.989035D+00 -0.131567D+01 -0.201841D+00  0.353365D+00
      2   0.177764D+01 -0.180702D+01  0.452635D+01  0.111853D+01 -0.709258D+01
      3   0.285159D+01 -0.490393D+00  0.134121D+02 -0.676513D+01  0.120974D+01
                16            17            18            19            20 
      1   0.427965D+01  0.509064D+01 -0.906580D+00 -0.496923D+00  0.406222D+00
      2  -0.149909D+02 -0.743787D+01 -0.776492D+01 -0.203449D+01  0.808002D+00
      3  -0.836911D+00 -0.165530D+01  0.655637D+01  0.222311D+01 -0.331331D+00
                21            22            23            24            25 
      1   0.557800D+00  0.102374D+01 -0.295508D+01 -0.389079D+01  0.301342D+01
      2   0.115378D+01  0.797107D+00 -0.329378D+01 -0.455145D+01  0.825614D+00
      3  -0.193142D-01  0.411880D+00  0.480252D+01  0.285216D+01  0.141006D+00
                26            27            28            29            30 
      1  -0.294906D+01 -0.897200D+01 -0.639777D+00  0.113554D+01 -0.615167D+00
      2  -0.615359D+01 -0.112688D+02  0.159618D+01  0.346709D+00  0.301040D+01
      3   0.704963D+01  0.524718D+01 -0.158563D+01 -0.347130D+01 -0.252043D+00
                31            32            33            34            35 
      1   0.115934D+01  0.750895D+00 -0.893976D+00 -0.998601D+00  0.238448D+01
      2  -0.407462D+00  0.131869D+01  0.427927D+01  0.142420D+01  0.287661D+01
      3  -0.186757D+01 -0.133516D+01 -0.300651D+01 -0.539645D-01 -0.307552D+01
                36            37            38            39            40 
      1  -0.118705D+01  0.397169D+01 -0.207344D+01 -0.255717D+01  0.547514D+00
      2   0.121325D+02 -0.115824D+02 -0.403416D+01  0.687786D+01 -0.577525D+01
      3  -0.373795D+01 -0.809895D+01 -0.134558D+02  0.198492D+00 -0.815768D+01
                41            42            43            44            45 
      1   0.666148D+01 -0.671439D+01 -0.130208D+01 -0.278704D+01 -0.696493D+01
      2  -0.131256D+00  0.794663D+01  0.212335D+01  0.757551D+01  0.125886D+02
      3   0.158579D+02  0.182159D-01  0.201743D+01 -0.611859D+00 -0.680260D+01
                46            47            48            49            50 
      1   0.975683D+00 -0.908196D+00 -0.421635D+00 -0.341209D+01 -0.169179D+01
      2   0.667579D-01 -0.187851D+01 -0.969530D+00 -0.145546D+01  0.613203D+00
      3  -0.740728D+01  0.583637D+01  0.747388D+00  0.152493D+02 -0.265854D+00
                51            52            53            54            55 
      1   0.161191D+01  0.101680D+01  0.106340D+02  0.222644D+01  0.914841D+00
      2   0.105811D+01 -0.129914D+02  0.717027D+00 -0.179860D+00 -0.183094D+01
      3   0.285482D+00 -0.413856D+00  0.217451D+01 -0.116341D+01  0.939700D+00
                56            57            58            59            60 
      1   0.107896D+01  0.976377D+00  0.143295D+00  0.245029D+01  0.207859D+01
      2  -0.600788D-01 -0.253211D+01 -0.209705D+00 -0.272649D+01 -0.572970D+01
      3   0.114303D+01 -0.713598D+00  0.123220D+01  0.110924D+01  0.266035D+01
                61            62            63            64            65 
      1  -0.426398D+00  0.524588D+01  0.938402D+01 -0.176411D+01  0.148780D+01
      2  -0.268913D+01 -0.253349D+01 -0.177882D+02 -0.277943D+00  0.120415D+01
      3  -0.106640D+01  0.401211D+01  0.272049D+01 -0.604589D+01  0.590662D+01
                66            67            68            69            70 
      1   0.160533D+01  0.135514D+01 -0.546309D+01 -0.312280D+01  0.626859D+00
      2  -0.910461D+00  0.128562D+01 -0.242375D+01  0.203879D+01 -0.145644D+01
      3   0.117347D+00  0.811333D+01 -0.202752D+02  0.125480D+01  0.779402D+00
                71            72            73            74            75 
      1   0.471184D+00  0.319269D+00 -0.475032D+00 -0.882716D+00 -0.192003D+01
      2   0.114425D+01 -0.135921D+01  0.724427D+01  0.765176D+00  0.675984D+01
      3   0.528125D+00 -0.216948D+01  0.892357D+01 -0.507440D+01  0.427635D+00
                76            77            78            79            80 
      1  -0.615733D+00 -0.622001D+00 -0.371375D+00 -0.119946D+01  0.707561D+00
      2   0.111315D+01  0.498086D+00 -0.410620D+00  0.210206D+01 -0.407040D+00
      3  -0.556940D+00 -0.185627D+01 -0.173634D+00  0.272405D+00 -0.962758D+00
                81            82            83            84            85 
      1   0.689660D-01 -0.136096D+01 -0.489459D-01  0.334755D+01 -0.897261D+00
      2   0.594144D+00  0.265485D+01 -0.189339D+00 -0.128569D+01  0.328748D+01
      3   0.155575D+01  0.826058D+01 -0.423058D+00  0.180950D+01  0.701526D+01
                86            87            88            89            90 
      1  -0.266730D-01 -0.287222D+01  0.549063D+01  0.227697D+01  0.195865D+00
      2   0.121447D+01  0.545660D+00 -0.123636D+02  0.138012D+00 -0.363181D+00
      3  -0.575349D+01  0.214468D+00  0.189802D+01 -0.515226D+00 -0.501687D+01
                91            92            93            94            95 
      1   0.135820D+01  0.583523D+00 -0.217927D+01  0.933127D+00  0.150924D+00
      2  -0.234544D+00  0.131425D+01 -0.389343D-01  0.959108D+00 -0.287944D+01
      3  -0.323869D+01 -0.104583D+02 -0.214486D+01  0.488047D+01 -0.266671D+01
                96            97            98            99           100 
      1  -0.337855D+01 -0.554057D+01  0.170294D+01 -0.132565D+01  0.147561D+00
      2   0.681705D+01 -0.751464D+01  0.976496D+01  0.371646D+01 -0.342062D+00
      3   0.174459D+01 -0.305403D+00  0.102038D+01 -0.538661D+01  0.707621D+00
               101           102           103           104           105 
      1  -0.859149D+00 -0.668545D+00 -0.123360D+01 -0.289624D+01  0.283977D+01
      2  -0.314656D+00  0.916355D+01 -0.363912D+01 -0.195299D+00 -0.650677D+00
      3  -0.766936D+01  0.322856D+00  0.119444D+02  0.355943D+01  0.200447D+01
               106           107           108           109           110 
      1  -0.875495D+00  0.112198D+02  0.250048D+01 -0.116068D+01 -0.260479D+00
      2   0.848611D+01  0.389750D+00  0.275790D+01 -0.579238D+00  0.256273D+01
      3   0.354759D+01  0.128900D+01  0.115844D+01 -0.209766D+01 -0.138527D+02
               111           112           113           114           115 
      1   0.310378D+01 -0.135480D+01  0.471415D+00 -0.281812D+01  0.665644D+01
      2   0.208639D+01 -0.740814D+00  0.320500D+01 -0.641639D+01 -0.547305D+01
      3  -0.237488D+01  0.402628D+01 -0.920787D+00 -0.227623D+01 -0.281986D+00
               116           117           118           119           120 
      1   0.266621D+01  0.105002D+01  0.182812D+00  0.116858D+01 -0.287498D+01
      2  -0.101886D+02 -0.376546D+01  0.338899D+01  0.152720D+01 -0.138785D+01
      3  -0.440424D+01  0.380774D+01  0.566521D+00 -0.739793D+00 -0.199349D+01
               121           122           123           124           125 
      1   0.144120D+01 -0.686713D+00 -0.284356D+01 -0.549820D+01  0.213298D+01
      2   0.101359D+01 -0.160092D+01 -0.135621D+01 -0.131005D+02 -0.998386D+00
      3   0.961526D+00  0.804867D+01  0.200292D+00 -0.416130D+01  0.150545D+00
               126           127           128           129           130 
      1  -0.946664D+00  0.547546D+00 -0.518488D+00  0.148476D+01  0.293990D+00
      2  -0.261151D+01  0.102803D+01 -0.429870D+00  0.300980D+00 -0.435838D+00
      3   0.578064D+01 -0.143503D+02  0.435379D+01  0.196588D+00  0.624353D+01
               131           132           133           134           135 
      1  -0.359732D-01 -0.335844D+01 -0.536141D+00  0.193647D+01  0.205661D+00
      2   0.899803D+00 -0.887911D+00 -0.157220D+01  0.376258D+00 -0.126981D+00
      3  -0.625814D+01 -0.727122D+00 -0.128154D+01  0.277879D+00  0.140703D+00
               136           137           138           139           140 
      1  -0.231723D+00 -0.208265D-01 -0.191722D+01 -0.103908D+00  0.519135D+00
      2   0.540786D+00  0.887617D+00  0.210920D+01  0.677531D+00  0.258250D+01
      3  -0.968205D+00 -0.335569D+01 -0.568343D+00 -0.184383D+01 -0.128451D+02
               141           142           143           144           145 
      1  -0.403259D+01  0.634429D+00  0.200512D+01 -0.488400D+00 -0.918014D-01
      2   0.330350D+01 -0.648045D+00 -0.245429D+00  0.501734D+00  0.186686D+01
      3  -0.222056D+01 -0.400586D+00 -0.244291D+01 -0.220322D+00  0.181571D+00
               146           147           148           149           150 
      1   0.453931D+00 -0.196080D+00  0.235044D+00 -0.385688D-02 -0.394812D+00
      2  -0.772092D-01  0.622805D+01  0.127555D+01  0.328941D+00  0.395969D+00
      3  -0.529454D+01  0.155951D+00 -0.367991D+01 -0.280621D+00 -0.394257D+00
               151           152           153           154           155 
      1   0.524310D-01  0.544492D+00 -0.378274D-02  0.265723D+00 -0.580839D+00
      2  -0.280655D+01  0.482542D-01  0.592295D+00  0.306091D+00 -0.319449D+00
      3  -0.125996D+01 -0.577372D+00 -0.257199D+00  0.106328D+01 -0.449047D+01
               156           157           158           159           160 
      1   0.204797D+01  0.223965D+00  0.171940D+00 -0.367096D+01 -0.828176D+00
      2   0.230010D+01  0.418030D+00 -0.973675D+00 -0.306586D+01 -0.863511D+00
      3  -0.566385D-01 -0.278268D+01  0.118098D+02  0.101972D+01 -0.700743D+00
               161           162           163           164           165 
      1   0.168584D+01 -0.283891D+00  0.429132D+00  0.259974D+00 -0.151737D+01
      2   0.668591D+00 -0.256424D+00 -0.154181D+01 -0.101247D+01  0.276454D+00
      3   0.190137D+01  0.179707D+00  0.712687D+01  0.411359D+01  0.982965D+00
               166           167           168           169           170 
      1   0.559452D+00  0.915862D+00 -0.369269D+01  0.452171D+00  0.231977D+01
      2  -0.165415D+01 -0.164246D+01  0.511284D+00 -0.192127D+01 -0.532854D+00
      3   0.764210D+01  0.759301D+01  0.185082D+01  0.174286D+01  0.217034D+01
               171 
      1  -0.463811D+00
      2   0.219868D+00
      3   0.179381D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.182972D+02 -0.458658D+01  0.302358D+01 -0.777095D+01  0.256103D+01
      2  -0.692640D+01 -0.108969D+01 -0.127482D+01 -0.179219D+00  0.880314D+01
      3  -0.113708D+02  0.567627D+01 -0.174876D+01  0.795017D+01 -0.113642D+02
      4  -0.143806D+02  0.184279D+02 -0.591186D+01  0.224949D+02 -0.192965D+02
      5   0.524757D+01 -0.523006D+01  0.830190D+01 -0.901512D+01  0.115864D+02
      6  -0.313303D+01  0.214337D+01 -0.272018D+01  0.367995D+01 -0.926287D+01
                 6             7             8             9            10 
      1   0.678578D+00  0.318874D+01  0.220441D+01  0.170587D+01  0.842511D+01
      2  -0.288627D+01 -0.201572D+01 -0.470409D+01 -0.686206D+01 -0.268743D+01
      3   0.220769D+01 -0.117302D+01  0.249967D+01  0.515619D+01 -0.573768D+01
      4   0.116681D+02 -0.943956D+01  0.140464D+02  0.357895D+01 -0.616078D+01
      5   0.495875D+01  0.686135D+01  0.323483D+01  0.232886D+02  0.378431D+00
      6   0.373793D+01  0.101103D+01  0.341000D+00 -0.135672D+02  0.174222D+01
                11            12            13            14            15 
      1   0.211055D+01 -0.179116D+01  0.298838D+01 -0.821089D+01  0.415800D+01
      2   0.847226D+00  0.786084D+00  0.429009D+01  0.373139D+01 -0.942455D+00
      3  -0.295777D+01  0.100508D+01 -0.727846D+01  0.447950D+01 -0.321555D+01
      4  -0.172827D+02  0.446636D+01 -0.276540D+02  0.412001D+01 -0.211022D+01
      5   0.494522D+01 -0.122501D+02  0.109034D+02 -0.221029D+01 -0.172752D+02
      6   0.269087D+01 -0.258254D+01  0.148425D+01  0.564988D+01 -0.922791D+01
                16            17            18            19            20 
      1   0.132790D+02  0.420821D+01 -0.101318D+01  0.313775D+01 -0.326388D+01
      2   0.969584D+00  0.357754D+01  0.851020D+01 -0.142730D+01  0.107263D+01
      3  -0.142486D+02 -0.778575D+01 -0.749702D+01 -0.171044D+01  0.219126D+01
      4   0.115211D+02  0.456863D+01 -0.180023D+02 -0.411714D+01  0.234791D+01
      5  -0.211821D+02 -0.165878D+02 -0.204614D+02 -0.238469D+01  0.181978D+01
      6  -0.108251D+02 -0.454875D+01 -0.382529D+01  0.149374D+01 -0.167926D+00
                21            22            23            24            25 
      1  -0.256328D+01 -0.376895D+01 -0.299896D+01 -0.145543D+01 -0.508811D+01
      2   0.590368D+00  0.362235D+00  0.566268D+01  0.313841D+01  0.229164D+01
      3   0.197292D+01  0.340671D+01 -0.266373D+01 -0.168297D+01  0.279647D+01
      4   0.248520D+01  0.603885D+01 -0.108296D+02 -0.588766D+01  0.791320D+01
      5   0.251855D+01  0.269104D+01 -0.545895D+01 -0.786926D+01  0.731119D+01
      6  -0.737245D+00 -0.160860D+01  0.477823D+01  0.693786D+01 -0.394715D+01
                26            27            28            29            30 
      1  -0.116353D+01 -0.280855D+01  0.492332D+01  0.116966D+01  0.400981D+01
      2   0.338316D+01  0.187518D+01 -0.627896D+01 -0.112915D+01 -0.446252D+01
      3  -0.221962D+01  0.933378D+00  0.135564D+01 -0.405119D-01  0.452714D+00
      4  -0.135402D+02 -0.108890D+02  0.434444D+01  0.652374D+01  0.211012D+01
      5  -0.104718D+02 -0.205581D+02  0.949601D+01  0.209852D+01  0.125620D+02
      6   0.852617D+01  0.129650D+02  0.252704D+01  0.181157D+00  0.173771D+01
                31            32            33            34            35 
      1   0.140040D+01 -0.215155D+01 -0.315228D+01  0.268104D+01 -0.281273D+01
      2  -0.266562D+01 -0.192536D+00 -0.494629D+00 -0.826969D+01 -0.229237D+01
      3   0.126522D+01  0.234409D+01  0.364691D+01  0.558865D+01  0.510510D+01
      4   0.971804D+01  0.566552D+01  0.643040D+01  0.348346D+01  0.686830D+01
      5   0.354414D+01  0.611195D+01  0.101390D+02  0.185336D+02  0.818728D+01
      6   0.248208D+01  0.460193D+01  0.891743D+01  0.508213D+01  0.650636D+01
                36            37            38            39            40 
      1  -0.101536D+02 -0.549489D+02 -0.155521D+02 -0.149265D+01 -0.686174D+01
      2  -0.140796D+02  0.230343D+02  0.146318D+02  0.383545D+01  0.624460D+01
      3   0.242332D+02  0.319146D+02  0.920272D+00 -0.234280D+01  0.617143D+00
      4   0.848246D+01 -0.161549D+02  0.130200D+02 -0.519563D+01  0.186130D+02
      5   0.315924D+02 -0.327440D+01 -0.275711D+01  0.112475D+02 -0.844587D+01
      6   0.102477D+02 -0.461752D+01 -0.643566D+01  0.433623D+01 -0.637080D+01
                41            42            43            44            45 
      1   0.205863D+02  0.227511D+01 -0.127994D+02 -0.280847D+00  0.123940D+02
      2  -0.218540D+02  0.624328D+01  0.615666D+01  0.372852D+01  0.798204D+01
      3   0.126769D+01 -0.851839D+01  0.664272D+01 -0.344768D+01 -0.203760D+02
      4  -0.716705D+01 -0.316310D+01 -0.157176D+02 -0.496710D+01  0.193591D+02
      5  -0.627384D+01  0.158048D+02  0.151491D+02  0.160755D+02  0.167908D+02
      6  -0.713836D+00  0.685264D+01  0.828755D+01  0.694357D+01 -0.181380D+01
                46            47            48            49            50 
      1  -0.191428D+02  0.321390D-01  0.171623D+00  0.110277D+01 -0.591682D+01
      2   0.631052D+01 -0.358159D+00 -0.328901D+00 -0.194335D+01  0.122644D+02
      3   0.128323D+02  0.326020D+00  0.157278D+00  0.840573D+00 -0.634759D+01
      4   0.115007D+02  0.490482D+01  0.660689D+00 -0.106108D+02 -0.191890D+01
      5  -0.797081D+00  0.134665D+00  0.509641D+00 -0.372736D+01 -0.609809D+00
      6  -0.871250D+00  0.151219D+00 -0.233319D+00 -0.206541D+01  0.264627D+01
                51            52            53            54            55 
      1   0.267754D+00 -0.727729D+01 -0.741546D+00 -0.949899D+01  0.362155D+01
      2   0.430898D+01  0.129565D+01  0.134457D+01 -0.342290D+01 -0.378906D+01
      3  -0.457674D+01  0.598164D+01 -0.603022D+00  0.129219D+02  0.167507D+00
      4  -0.121061D+01 -0.318287D+01 -0.191323D+01  0.283000D+01  0.487261D+00
      5   0.204425D+01  0.390804D+01  0.220715D+01  0.205581D+00 -0.205453D+01
      6  -0.340761D+01 -0.117735D+01  0.600501D+01 -0.264635D+01  0.263793D+00
                56            57            58            59            60 
      1   0.824000D+00 -0.586979D+01 -0.254595D+01 -0.451576D+01 -0.253908D+01
      2  -0.135102D+01  0.383317D+00  0.219139D+01  0.112819D+01 -0.552887D+01
      3   0.527021D+00  0.548647D+01  0.354567D+00  0.338757D+01  0.806795D+01
      4  -0.205466D+01 -0.412895D+00 -0.223966D+00 -0.347327D+01 -0.496147D+01
      5   0.894867D+00 -0.201203D+00  0.432695D+01 -0.369937D+01 -0.104017D+02
      6   0.175116D+01 -0.109278D+01 -0.920586D-02  0.226084D+01  0.324016D+01
                61            62            63            64            65 
      1  -0.613744D+01 -0.797673D+00 -0.161494D+02 -0.108142D+01  0.897862D+01
      2   0.455564D+01 -0.421466D+01 -0.170694D+02  0.378144D+01 -0.981370D+01
      3   0.158180D+01  0.501234D+01  0.332187D+02 -0.270003D+01  0.835080D+00
      4  -0.215977D+01 -0.761269D+01 -0.573240D+01  0.101261D+01 -0.315776D+01
      5   0.838848D+01 -0.332695D+01 -0.305587D+02  0.169985D+01 -0.258449D+00
      6   0.632511D+00  0.427604D+01 -0.697934D+01 -0.121965D+00  0.289571D+01
                66            67            68            69            70 
      1  -0.967882D+00  0.956203D+01 -0.243622D+02  0.218471D+01  0.135338D+01
      2  -0.610547D-01 -0.666012D+01  0.368097D+02 -0.119993D+01 -0.686992D+00
      3   0.102894D+01 -0.290190D+01 -0.124474D+02 -0.984779D+00 -0.666386D+00
      4   0.123839D+01  0.433701D+01  0.284983D+02 -0.256536D+01  0.205266D+01
      5  -0.196949D+01 -0.312152D+01 -0.411022D+00  0.420521D+01  0.458461D+00
      6  -0.251598D+01  0.697442D+00 -0.975393D+01  0.635659D+01 -0.138486D+01
                71            72            73            74            75 
      1   0.152498D+01 -0.505848D+01  0.838627D+02  0.105341D+02  0.202623D+01
      2  -0.341489D+00  0.229338D+01 -0.401617D+02 -0.230344D+01  0.809967D+00
      3  -0.118349D+01  0.276510D+01 -0.437010D+02 -0.823069D+01 -0.283620D+01
      4  -0.280356D+00  0.120126D+01  0.312884D+02  0.157746D+02 -0.879270D-01
      5   0.179736D+01 -0.207641D+01 -0.100060D+02 -0.182146D+01  0.112145D+02
      6   0.586227D+01 -0.930981D+00 -0.541537D+00 -0.162196D+01  0.358051D+01
                76            77            78            79            80 
      1   0.214077D+01  0.467698D+01  0.198182D+00  0.107208D+02  0.106289D+01
      2   0.125613D+01  0.463795D+00 -0.548728D+00 -0.443441D+01 -0.132353D+00
      3  -0.339690D+01 -0.514077D+01  0.350546D+00 -0.628637D+01 -0.930540D+00
      4   0.118359D+02  0.648972D+01  0.501560D+00  0.464647D+01  0.316917D+01
      5   0.416847D+00 -0.116685D+00 -0.696300D+00  0.923168D+01  0.218802D+00
      6  -0.718112D+00 -0.671009D+00  0.896874D+00  0.276922D+01  0.811820D+00
                81            82            83            84            85 
      1   0.557362D+01  0.437571D+01  0.171197D+02  0.552253D+01 -0.163892D+01
      2  -0.491879D+01 -0.508372D+01 -0.118365D+02 -0.135510D+01  0.107541D+02
      3  -0.654833D+00  0.708011D+00 -0.528326D+01 -0.416742D+01 -0.911519D+01
      4   0.102111D+01  0.763833D+01 -0.127226D+02  0.114322D+00  0.400177D+01
      5   0.594977D+00  0.211908D+01 -0.291247D-01 -0.150562D+01  0.216005D+01
      6   0.609991D+00  0.324796D+01 -0.317984D+01 -0.691319D+01  0.507218D+01
                86            87            88            89            90 
      1   0.170375D+01  0.216925D+01  0.188175D+00  0.436387D+01 -0.151670D+02
      2  -0.694295D+01 -0.220157D+01  0.255284D+01 -0.618554D+01  0.261201D+01
      3   0.523920D+01  0.323192D-01 -0.274101D+01  0.182167D+01  0.125550D+02
      4   0.143214D+02  0.177464D+01  0.702783D+00 -0.215581D+01  0.334023D+01
      5   0.160321D+01  0.573734D-01  0.410916D+01  0.345911D+01 -0.169928D+01
      6  -0.320729D+01  0.704653D+01 -0.291199D+01  0.144244D+02  0.571444D-03
                91            92            93            94            95 
      1   0.269715D+01 -0.233144D+02 -0.243301D+01  0.261057D+02  0.104128D+02
      2  -0.200498D+01  0.153086D+02  0.959206D+00 -0.246789D+02 -0.140063D+02
      3  -0.692160D+00  0.800586D+01  0.147380D+01 -0.142679D+01  0.359349D+01
      4  -0.121589D+02 -0.489781D+01 -0.506975D+01  0.840119D+01 -0.270134D+01
      5  -0.433339D+01 -0.471308D+01 -0.221417D+01 -0.553222D+00 -0.584955D+01
      6  -0.547908D+01 -0.217275D+01  0.540879D+01 -0.492150D+01 -0.901028D+01
                96            97            98            99           100 
      1   0.176983D+01  0.259821D+01 -0.337288D+01 -0.518735D+01 -0.716911D+01
      2  -0.610997D+01 -0.626160D+01 -0.446126D+01 -0.551906D+01  0.368742D+01
      3   0.434014D+01  0.366338D+01  0.783415D+01  0.107064D+02  0.348169D+01
      4  -0.560596D+01 -0.514662D+01 -0.896388D+01  0.148424D+02 -0.115130D+01
      5   0.142185D+02  0.142371D+02  0.152003D+02  0.778832D+01 -0.858085D+01
      6   0.620881D+01  0.577683D+01  0.147820D+02  0.372655D+01  0.312860D+00
               101           102           103           104           105 
      1  -0.532940D+00 -0.748739D+01  0.434932D+01 -0.219760D+02 -0.637665D+01
      2   0.530376D+00  0.382197D+01 -0.247001D+01  0.193863D+02  0.925996D+01
      3   0.256429D-02  0.366542D+01 -0.187931D+01  0.258967D+01 -0.288331D+01
      4   0.243507D+02  0.338490D+00 -0.228543D+02 -0.663910D+01 -0.370268D+01
      5   0.236281D+00  0.203115D+02 -0.105143D+02 -0.251360D+01 -0.139197D+01
      6   0.773392D+00  0.141096D+01 -0.301987D+01  0.389844D+01 -0.576458D+01
               106           107           108           109           110 
      1  -0.966664D+01 -0.680104D+01  0.139826D+02  0.267723D+01  0.237940D+02
      2   0.343052D+01  0.527581D+01 -0.181675D+02 -0.451155D+01 -0.144923D+02
      3   0.623612D+01  0.152523D+01  0.418495D+01  0.183433D+01 -0.930165D+01
      4  -0.113310D+02  0.838906D+00 -0.876996D+00  0.183732D+02  0.371291D+01
      5   0.355435D+02  0.127146D+00  0.611239D+01 -0.158097D-01  0.458960D+01
      6   0.815387D-01  0.610836D+01 -0.405773D+01  0.277154D+01 -0.274912D+01
               111           112           113           114           115 
      1   0.522332D+01 -0.261148D+02  0.699144D+01  0.164316D+01 -0.791923D+01
      2   0.342890D+00  0.255963D+02 -0.114341D+02 -0.154365D+01  0.859189D+01
      3  -0.556621D+01  0.518528D+00  0.444264D+01 -0.995151D-01 -0.672657D+00
      4   0.514728D+01  0.758641D+01  0.106273D+02  0.833546D+01  0.280962D+01
      5   0.467017D+01 -0.288182D+01  0.737116D+01 -0.134070D+02  0.186791D+02
      6  -0.730110D+01  0.639159D+01 -0.565431D+01  0.690096D+01 -0.713815D+01
               116           117           118           119           120 
      1   0.662848D+01  0.608245D+00  0.640242D+01 -0.145608D+02 -0.208264D-01
      2  -0.868538D+01 -0.712956D+01 -0.573181D+01  0.114380D+02 -0.173560D+01
      3   0.205689D+01  0.652132D+01 -0.670602D+00  0.312278D+01  0.175643D+01
      4   0.671122D+01 -0.150631D+02 -0.106457D+02 -0.191814D+02 -0.419476D+01
      5  -0.150459D+02 -0.781902D+01  0.122435D+00 -0.405372D+01 -0.477127D+01
      6   0.138223D+02 -0.523833D+00 -0.310954D+01 -0.255610D+01  0.622653D+01
               121           122           123           124           125 
      1   0.197449D+01  0.650148D+01  0.446648D+01  0.163665D+01  0.117021D+01
      2  -0.911865D+01 -0.989425D+01 -0.608457D+01 -0.401995D+01 -0.678144D+01
      3   0.714416D+01  0.339277D+01  0.161809D+01  0.238330D+01  0.561123D+01
      4   0.114902D+02 -0.129236D+02 -0.167201D+01  0.180461D+00 -0.450957D+01
      5   0.294480D+00 -0.179810D+01 -0.116207D+01  0.224624D+00 -0.521154D+01
      6  -0.482320D+01 -0.911026D+01  0.397821D+01  0.357102D+01  0.122838D+02
               126           127           128           129           130 
      1  -0.156770D+02 -0.116807D+01  0.751445D+01 -0.116023D+00  0.893372D+01
      2   0.553892D+00  0.447914D+01 -0.108197D+02 -0.114259D+00 -0.119089D+02
      3   0.151231D+02 -0.331107D+01  0.330522D+01  0.230282D+00  0.297515D+01
      4  -0.612441D+01 -0.106237D+02  0.776888D+01  0.567676D+00  0.655674D+01
      5  -0.560129D+01 -0.490119D+00  0.695214D+00  0.100127D+01  0.862362D+00
      6   0.459995D+01 -0.717082D-01  0.134383D+00 -0.158640D+01 -0.955588D+00
               131           132           133           134           135 
      1  -0.247313D+02 -0.190874D+01  0.702314D+00 -0.168384D+01 -0.438820D+00
      2   0.338742D+02  0.160756D+01 -0.954356D+00  0.238761D+01  0.122603D+01
      3  -0.914283D+01  0.301181D+00  0.252041D+00 -0.703773D+00 -0.787212D+00
      4  -0.696142D+01 -0.472116D+00 -0.424388D+00  0.123405D+00 -0.127481D+01
      5  -0.949594D+00 -0.980035D+00  0.453457D+00 -0.635134D+00 -0.308710D-01
      6   0.242685D+01  0.527589D+01 -0.344628D+00  0.122273D+01  0.284046D+00
               136           137           138           139           140 
      1   0.844664D+01  0.644150D+01  0.118399D+01  0.131025D+01 -0.966736D+01
      2   0.186657D+01  0.447084D+01  0.120795D+00  0.102934D+02  0.307222D+02
      3  -0.103132D+02 -0.109123D+02 -0.130478D+01 -0.116037D+02 -0.210548D+02
      4   0.218414D+02  0.252818D+02  0.525724D+01  0.270037D+02  0.464753D+02
      5   0.477907D+01  0.515123D+01  0.521323D+01  0.522444D+01  0.819385D+01
      6   0.355397D+01  0.414197D+01  0.316438D+01  0.502136D+01  0.104607D+02
               141           142           143           144           145 
      1  -0.194726D+01  0.112861D+01 -0.103088D+01 -0.767852D+00  0.982593D+02
      2   0.371150D+01  0.146981D+01  0.497209D+01  0.189717D+01 -0.563556D+02
      3  -0.176423D+01 -0.259843D+01 -0.394120D+01 -0.112932D+01 -0.419037D+02
      4   0.853812D+01  0.670746D+01  0.101532D+02  0.293806D+01  0.344847D+01
      5   0.571905D+01  0.208661D+01  0.239458D+01  0.183377D+01  0.126961D+02
      6   0.799982D+01  0.187082D+01  0.350653D+01  0.251377D+01 -0.189361D+01
               146           147           148           149           150 
      1   0.278236D+01  0.836723D+01  0.160567D+01  0.885264D+01  0.138087D+01
      2  -0.136868D+01 -0.578545D+01 -0.788642D+00 -0.431115D+01 -0.129288D+01
      3  -0.141368D+01 -0.258178D+01 -0.817026D+00 -0.454148D+01 -0.879899D-01
      4   0.849063D+01  0.110085D+00  0.142343D+02  0.107822D+01  0.132549D+01
      5   0.190710D+00  0.106592D+02  0.277038D+01  0.143047D+01  0.701388D+00
      6   0.588908D+00 -0.360923D-01  0.101524D+01 -0.142021D+00  0.168824D+01
               151           152           153           154           155 
      1   0.115534D+02  0.161241D+01  0.292001D+01  0.151338D+02 -0.100724D+02
      2  -0.678256D+01 -0.102687D+01 -0.173361D+01 -0.346261D+00 -0.364530D+01
      3  -0.477080D+01 -0.585540D+00 -0.118639D+01 -0.147876D+02  0.137177D+02
      4   0.283900D+01  0.119102D+01  0.561117D+00 -0.281774D+02  0.291130D+02
      5   0.241116D+01  0.368595D+00  0.202058D+01 -0.334102D+01  0.249250D+01
      6   0.280073D-01  0.585270D+00  0.414196D+00  0.107579D+01 -0.936193D+00
               156           157           158           159           160 
      1  -0.128610D+01 -0.576039D+01 -0.143665D+01 -0.971872D-02  0.551921D+00
      2   0.237339D+00 -0.874638D+01  0.231353D+02  0.115141D+01 -0.155773D+01
      3   0.104876D+01  0.145068D+02 -0.216987D+02 -0.114169D+01  0.100581D+01
      4   0.232821D+01  0.318558D+02 -0.464297D+02 -0.536931D+01  0.287359D+01
      5   0.485638D+01  0.438908D+01 -0.589693D+01 -0.516732D+01  0.140915D+01
      6  -0.271415D+01 -0.282208D+01  0.444221D+01  0.607697D+01 -0.110220D+01
               161           162           163           164           165 
      1  -0.127729D+01 -0.551046D+00 -0.501516D+01 -0.747025D+01 -0.286848D+01
      2   0.317442D+01  0.134944D+01  0.627817D+01  0.893424D+01  0.191447D+01
      3  -0.189712D+01 -0.798389D+00 -0.126301D+01 -0.146399D+01  0.954016D+00
      4  -0.490423D+01 -0.200620D+01  0.509634D+01  0.705943D+01  0.132148D+01
      5  -0.118918D+01 -0.587555D+00  0.713092D+00  0.887133D+00  0.166176D+01
      6   0.188111D+01  0.129772D+01  0.285032D+01  0.436740D+01  0.256787D+01
               166           167           168           169           170 
      1  -0.798571D+01 -0.279717D+02 -0.731790D+01 -0.200995D+01 -0.632834D+01
      2   0.101193D+02  0.359597D+02  0.644270D+01  0.235291D+01  0.746660D+01
      3  -0.213359D+01 -0.798797D+01  0.875195D+00 -0.342958D+00 -0.113827D+01
      4   0.597615D+01  0.252561D+01  0.120507D+00  0.167188D+01  0.117682D+01
      5   0.676095D+00 -0.509258D+00  0.502584D+00  0.987109D+00  0.658411D+00
      6   0.344406D+01  0.116331D+02  0.810074D+01  0.118161D+01  0.413920D+01
               171 
      1  -0.259006D+01
      2   0.272611D+01
      3  -0.136047D+00
      4   0.181451D+01
      5   0.113897D+01
      6   0.295774D+01
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Thu Aug 12 22:55:29 2021, MaxMem=  5368709120 cpu:           19681.4 elap:            2463.9
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -19.27637 -10.35598 -10.30751 -10.30266 -10.30152
 Alpha  occ. eigenvalues --  -10.30119 -10.29982 -10.29804 -10.29448  -1.13503
 Alpha  occ. eigenvalues --   -0.96562  -0.88379  -0.85032  -0.82923  -0.74081
 Alpha  occ. eigenvalues --   -0.70338  -0.68321  -0.62253  -0.57568  -0.56626
 Alpha  occ. eigenvalues --   -0.53862  -0.52973  -0.52322  -0.50868  -0.48287
 Alpha  occ. eigenvalues --   -0.46568  -0.45497  -0.43897  -0.42461  -0.41541
 Alpha  occ. eigenvalues --   -0.36864  -0.33338  -0.32441
 Alpha virt. eigenvalues --    0.03459   0.04173   0.04291   0.04947   0.05338
 Alpha virt. eigenvalues --    0.05628   0.05967   0.06190   0.07166   0.07700
 Alpha virt. eigenvalues --    0.08076   0.09812   0.11327   0.11781   0.12632
 Alpha virt. eigenvalues --    0.13071   0.13417   0.14000   0.14191   0.14880
 Alpha virt. eigenvalues --    0.15097   0.15334   0.15735   0.16227   0.16768
 Alpha virt. eigenvalues --    0.17044   0.17516   0.17692   0.17999   0.18986
 Alpha virt. eigenvalues --    0.19200   0.20095   0.20646   0.21036   0.21620
 Alpha virt. eigenvalues --    0.22022   0.23390   0.24414   0.25539   0.26097
 Alpha virt. eigenvalues --    0.26586   0.26814   0.27402   0.28147   0.29105
 Alpha virt. eigenvalues --    0.29599   0.29808   0.30455   0.31269   0.31470
 Alpha virt. eigenvalues --    0.31577   0.32692   0.33089   0.33513   0.33850
 Alpha virt. eigenvalues --    0.34208   0.35001   0.35268   0.36961   0.37499
 Alpha virt. eigenvalues --    0.38114   0.38695   0.39225   0.39388   0.40449
 Alpha virt. eigenvalues --    0.40690   0.42423   0.43035   0.43879   0.44981
 Alpha virt. eigenvalues --    0.45419   0.45854   0.46701   0.48523   0.48768
 Alpha virt. eigenvalues --    0.49564   0.49864   0.51243   0.51890   0.52297
 Alpha virt. eigenvalues --    0.53920   0.54140   0.54524   0.55448   0.56872
 Alpha virt. eigenvalues --    0.57307   0.58264   0.58360   0.59183   0.60381
 Alpha virt. eigenvalues --    0.60996   0.61213   0.62087   0.62510   0.62553
 Alpha virt. eigenvalues --    0.63654   0.64675   0.65099   0.65178   0.66409
 Alpha virt. eigenvalues --    0.66823   0.67127   0.67608   0.69412   0.69653
 Alpha virt. eigenvalues --    0.70312   0.70977   0.71995   0.72662   0.73171
 Alpha virt. eigenvalues --    0.73279   0.73902   0.74791   0.75264   0.77523
 Alpha virt. eigenvalues --    0.78008   0.79480   0.80474   0.81102   0.81835
 Alpha virt. eigenvalues --    0.83191   0.83708   0.84220   0.85605   0.86025
 Alpha virt. eigenvalues --    0.86338   0.87121   0.88182   0.88920   0.89479
 Alpha virt. eigenvalues --    0.90116   0.91408   0.91961   0.92126   0.94229
 Alpha virt. eigenvalues --    0.97473   0.99329   0.99504   1.02420   1.03013
 Alpha virt. eigenvalues --    1.03579   1.04683   1.05201   1.07530   1.08297
 Alpha virt. eigenvalues --    1.10427   1.11513   1.14838   1.16882   1.17983
 Alpha virt. eigenvalues --    1.18586   1.23811   1.25438   1.28065   1.29228
 Alpha virt. eigenvalues --    1.30557   1.35203   1.37502   1.38860   1.39485
 Alpha virt. eigenvalues --    1.40913   1.42493   1.43300   1.45683   1.46561
 Alpha virt. eigenvalues --    1.47128   1.48980   1.50306   1.50725   1.52782
 Alpha virt. eigenvalues --    1.53421   1.54216   1.56482   1.57661   1.58459
 Alpha virt. eigenvalues --    1.59291   1.60104   1.61092   1.62873   1.63276
 Alpha virt. eigenvalues --    1.64850   1.68112   1.69457   1.70874   1.72587
 Alpha virt. eigenvalues --    1.73219   1.74705   1.75691   1.76050   1.77804
 Alpha virt. eigenvalues --    1.79302   1.79626   1.81389   1.81696   1.83945
 Alpha virt. eigenvalues --    1.85986   1.86415   1.87975   1.89702   1.92255
 Alpha virt. eigenvalues --    1.93236   1.94223   1.95988   1.96429   1.97934
 Alpha virt. eigenvalues --    2.01103   2.01434   2.03753   2.04095   2.05807
 Alpha virt. eigenvalues --    2.06826   2.07136   2.09926   2.12380   2.13165
 Alpha virt. eigenvalues --    2.14211   2.16857   2.17941   2.18388   2.19746
 Alpha virt. eigenvalues --    2.21487   2.25100   2.25662   2.26974   2.28507
 Alpha virt. eigenvalues --    2.30169   2.33739   2.35706   2.39278   2.41734
 Alpha virt. eigenvalues --    2.43843   2.48962   2.51336   2.54965   2.56251
 Alpha virt. eigenvalues --    2.59309   2.60737   2.61763   2.63999   2.64902
 Alpha virt. eigenvalues --    2.69817   2.73938   2.78821   2.80135   2.82055
 Alpha virt. eigenvalues --    2.84712   2.90078   2.91444   2.92789   2.96689
 Alpha virt. eigenvalues --    3.05428   3.09086   3.13812   3.17280   3.32361
 Alpha virt. eigenvalues --    3.43915   3.52127   3.54874   3.59775   3.62756
 Alpha virt. eigenvalues --    3.65891   3.79330   4.06111   4.58276
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  O    8.471199  -0.048548   0.334259  -0.090811  -0.014854  -0.030977
     2  C   -0.048548   7.897690  -0.052228  -0.519071   0.607939   0.357447
     3  H    0.334259  -0.052228   0.634773   0.017078  -0.043966   0.005998
     4  H   -0.090811  -0.519071   0.017078   1.737294  -0.095740   0.142023
     5  C   -0.014854   0.607939  -0.043966  -0.095740   4.304766   0.022024
     6  C   -0.030977   0.357447   0.005998   0.142023   0.022024  16.068906
     7  H    0.009929  -0.193699  -0.010658   0.080514   0.312771  -0.128119
     8  H    0.013730   0.309919   0.011835  -0.059883   0.225488  -0.150396
     9  H   -0.003033   0.025881  -0.002166  -0.052337   0.186496   0.191286
    10  C    0.143868  -1.164671  -0.034864   0.036109  -0.147903  -7.073100
    11  C   -0.109987   0.110253   0.024576   0.003563   0.124816   3.881341
    12  C    0.013633  -0.034497  -0.008277   0.008191  -0.079476  -4.561879
    13  C   -0.025161  -0.178741   0.005353   0.021299   0.118130   3.291920
    14  C   -0.015107  -1.815685  -0.007303   0.108896  -0.368615  -7.970720
    15  H   -0.132974   0.258202   0.015344   0.022335   0.020209   0.670195
    16  H    0.002283   0.020762   0.000327  -0.000339   0.001119  -0.261517
    17  H    0.000612  -0.014710  -0.000045   0.000769  -0.000447   0.106588
    18  H   -0.000857   0.024194  -0.000000   0.001078  -0.001881  -0.367515
    19  H    0.004076  -0.122637   0.000247   0.004555   0.068594   0.656804
               7          8          9         10         11         12
     1  O    0.009929   0.013730  -0.003033   0.143868  -0.109987   0.013633
     2  C   -0.193699   0.309919   0.025881  -1.164671   0.110253  -0.034497
     3  H   -0.010658   0.011835  -0.002166  -0.034864   0.024576  -0.008277
     4  H    0.080514  -0.059883  -0.052337   0.036109   0.003563   0.008191
     5  C    0.312771   0.225488   0.186496  -0.147903   0.124816  -0.079476
     6  C   -0.128119  -0.150396   0.191286  -7.073100   3.881341  -4.561879
     7  H    1.560512  -0.243559  -0.331645   0.131764  -0.007535   0.014016
     8  H   -0.243559   1.617155  -0.260085   0.054366   0.035527  -0.018759
     9  H   -0.331645  -0.260085   1.479614  -0.129299  -0.005295  -0.004160
    10  C    0.131764   0.054366  -0.129299  19.795294  -7.175049   4.584631
    11  C   -0.007535   0.035527  -0.005295  -7.175049  14.554977  -4.996771
    12  C    0.014016  -0.018759  -0.004160   4.584631  -4.996771  11.790100
    13  C   -0.024153  -0.055817   0.031780  -5.448095   4.917193  -4.915714
    14  C    0.059802  -0.209909   0.032141   2.778785  -5.196156   4.177176
    15  H   -0.001796   0.005171  -0.000387  -2.224288   0.812611  -0.236000
    16  H   -0.000786  -0.000318   0.000550   1.041891  -1.571983   0.568097
    17  H    0.000577   0.000049  -0.000152  -0.180003   0.622142  -1.306155
    18  H    0.000368  -0.002068   0.000551   0.203532  -0.319369   0.643151
    19  H    0.002147  -0.043691   0.000344  -0.146344   0.126404  -0.232736
              13         14         15         16         17         18
     1  O   -0.025161  -0.015107  -0.132974   0.002283   0.000612  -0.000857
     2  C   -0.178741  -1.815685   0.258202   0.020762  -0.014710   0.024194
     3  H    0.005353  -0.007303   0.015344   0.000327  -0.000045  -0.000000
     4  H    0.021299   0.108896   0.022335  -0.000339   0.000769   0.001078
     5  C    0.118130  -0.368615   0.020209   0.001119  -0.000447  -0.001881
     6  C    3.291920  -7.970720   0.670195  -0.261517   0.106588  -0.367515
     7  H   -0.024153   0.059802  -0.001796  -0.000786   0.000577   0.000368
     8  H   -0.055817  -0.209909   0.005171  -0.000318   0.000049  -0.002068
     9  H    0.031780   0.032141  -0.000387   0.000550  -0.000152   0.000551
    10  C   -5.448095   2.778785  -2.224288   1.041891  -0.180003   0.203532
    11  C    4.917193  -5.196156   0.812611  -1.571983   0.622142  -0.319369
    12  C   -4.915714   4.177176  -0.236000   0.568097  -1.306155   0.643151
    13  C   13.472806  -5.118064   0.160534  -0.366140   0.633532  -1.398336
    14  C   -5.118064  20.003715  -0.223883   0.196679  -0.187171   0.884200
    15  H    0.160534  -0.223883   2.985668  -0.158302  -0.023708   0.016737
    16  H   -0.366140   0.196679  -0.158302   2.285485  -0.109919  -0.029017
    17  H    0.633532  -0.187171  -0.023708  -0.109919   2.207361  -0.115400
    18  H   -1.398336   0.884200   0.016737  -0.029017  -0.115400   2.284242
    19  H    0.614655  -1.814608  -0.043474   0.015132  -0.020982  -0.190791
              19
     1  O    0.004076
     2  C   -0.122637
     3  H    0.000247
     4  H    0.004555
     5  C    0.068594
     6  C    0.656804
     7  H    0.002147
     8  H   -0.043691
     9  H    0.000344
    10  C   -0.146344
    11  C    0.126404
    12  C   -0.232736
    13  C    0.614655
    14  C   -1.814608
    15  H   -0.043474
    16  H    0.015132
    17  H   -0.020982
    18  H   -0.190791
    19  H    3.032796
 Mulliken charges:
               1
     1  O   -0.521280
     2  C    0.532201
     3  H    0.109717
     4  H   -0.365523
     5  C    0.760529
     6  C    1.149691
     7  H   -0.230448
     8  H   -0.228756
     9  H   -0.160085
    10  C    0.953377
    11  C    0.168743
    12  C    0.595432
    13  C    0.263019
    14  C    0.685827
    15  H   -0.922194
    16  H   -0.634003
    17  H   -0.612939
    18  H   -0.632820
    19  H   -0.910490
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  O   -0.411563
     2  C    0.166678
     5  C    0.141241
     6  C    1.149691
    10  C    0.031183
    11  C   -0.465261
    12  C   -0.017507
    13  C   -0.369801
    14  C   -0.224663
 Electronic spatial extent (au):  <R**2>=           1276.4064
 Charge=             -0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=              0.2749    Y=             -0.8929    Z=              1.2099  Tot=              1.5287
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -52.7067   YY=            -50.6811   ZZ=            -56.8621
   XY=              2.0807   XZ=             -2.6516   YZ=              4.0211
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=              0.7100   YY=              2.7355   ZZ=             -3.4455
   XY=              2.0807   XZ=             -2.6516   YZ=              4.0211
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=              8.3243  YYY=              4.6692  ZZZ=             -1.5585  XYY=              0.6705
  XXY=             -4.3418  XXZ=             10.0519  XZZ=            -11.0694  YZZ=              1.4646
  YYZ=              3.3031  XYZ=             -5.0573
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=          -1147.6866 YYYY=           -392.6318 ZZZZ=           -122.5928 XXXY=              3.8296
 XXXZ=             -9.1133 YYYX=            -12.7471 YYYZ=             13.6388 ZZZX=              2.5111
 ZZZY=              0.2730 XXYY=           -255.5605 XXZZ=           -228.1315 YYZZ=            -95.9588
 XXYZ=             21.2087 YYXZ=             -7.3759 ZZXY=             -3.2681
 N-N= 4.253497333403D+02 E-N=-1.748270618421D+03  KE= 3.836868195358D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Thu Aug 12 22:55:29 2021, MaxMem=  5368709120 cpu:               2.8 elap:               0.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        = 1.04765525D-01-3.25934540D-01 4.80616367D-01
 Polarizability= 1.19505687D+02 1.75631899D+00 9.99481783D+01
                 2.10175880D+00 5.58916901D+00 6.41850941D+01
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 2      0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 3      0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 4     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 5     -0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 6     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000       -0.9881   -0.9869        0.7337    0.7304
 2      0.9881    0.9869       -2.6362   -2.6364      -10.6650  -10.6607
 3     -0.7337   -0.7304       28.4974   28.4926        2.6350    2.6364
 4      2.6362    2.6364        0.0000    0.0000       -0.7305   -0.7304
 5    -17.8324  -17.8319        0.7305    0.7304       -0.9876   -0.9869
 6     -2.6350   -2.6364        0.9876    0.9869       -0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000        2.9607    2.9607        2.1912    2.1912
 2      7.9091    7.9091        0.0000    0.0000        2.1912    2.1912
 3      7.9091    7.9091        2.9607    2.9607       -0.0000    0.0000
 4      2.9607    2.9607       -7.9091   -7.9091      -31.9822  -31.9822
 5     -2.1912   -2.1912       85.4778   85.4778        7.9091    7.9091
 6    -53.4956  -53.4956        2.1912    2.1912       -2.9607   -2.9607
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0035    0.0000        3.1445    3.9476       -0.9533   -2.9216
 2     -3.7069   -3.9476       10.3939   10.5454       42.0445   42.6430
 3      3.0450    2.9216     -114.0917 -113.9704      -10.6199  -10.5454
 4    -10.6351  -10.5454        0.1136    0.0000        3.1393    2.9216
 5     71.3558   71.3275       -2.9331   -2.9216        3.8742    3.9476
 6     10.5744   10.5454       -3.9223   -3.9476       -0.0271    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0591    0.0000        0.8759    0.5627      -10.7030  -10.3349
 2     -0.6556   -0.5627      -40.6640  -40.5807      -18.8923  -19.0553
 3     10.0547   10.3349      -17.2087  -15.7341       45.8855   40.5807
 4     40.5242   40.5807       -0.0974    0.0000       10.4246   10.3349
 5     35.2871   34.7894      -10.2588  -10.3349        0.0226    0.5627
 6    -40.4567  -40.5807       -0.6842   -0.5627       -0.1837    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      9.2197    9.1415       11.5324   11.8856       17.2033   16.9154
 2     75.9867   76.0704        3.4414    3.5342       17.2050   16.9154
 3     76.0930   76.0704       11.7348   11.8856       20.2832   19.9636
 4      8.3308    8.3514      -66.8182  -66.9289      -22.7928  -23.0759
 5      2.4454    3.0481      -32.3338  -31.7228       70.5240   66.9289
 6     55.7160   54.7987       -3.4289   -3.0481       -7.1091   -8.3514
 Full mass-weighted force constant matrix:
 Low frequencies ---   -5.1307   -1.9003   -0.0007   -0.0005    0.0003    5.0110
 Low frequencies ---   31.1155  139.5620  220.3087
 Diagonal vibrational polarizability:
       50.2402029      12.9840523      23.9614559
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   18796.99
                      1                      2                      3
                      A                      A                      A
 Frequencies --     31.0917               139.5619               220.3086
 Red. masses --      3.3798                 3.4142                 2.7288
 Frc consts  --      0.0019                 0.0392                 0.0780
 IR Inten    --      1.0137                 2.0383                 0.5945
 RamAct Fr= 1--      2.4723                 4.2924                 0.1015
  Dep-P Fr= 1--      0.7490                 0.7124                 0.7112
  Dep-U Fr= 1--      0.8565                 0.8321                 0.8313
 Alpha2 Fr= 1--      0.0000                 0.0028                 0.0001
 Beta2  Fr= 1--      0.3529                 0.5953                 0.0141
 AlphaG Fr= 1--      0.0004                 0.0013                 0.0003
 Gamma2 Fr= 1--     -0.6572                -0.2732                 0.0614
 Delta2 Fr= 1--     -0.3029                -0.0897                 0.0736
 Raman1 Fr= 1--       9.889                 17.170                  0.406
 ROA1   Fr= 1--     -72.784                -29.095                  8.254
 CID1   Fr= 1--      -7.360                 -1.695                 20.337
 Raman2 Fr= 1--       4.235                  7.143                  0.169
 ROA2   Fr= 1--     -13.349                 -5.838                  0.886
 CID2   Fr= 1--      -3.152                 -0.817                  5.251
 Raman3 Fr= 1--       8.470                 14.287                  0.337
 ROA3   Fr= 1--     -72.784                -29.095                  8.254
 CID3   Fr= 1--      -8.594                 -2.037                 24.466
 RC180  Fr= 1--       0.713                  0.664                  0.663
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8     0.01   0.05   0.21    -0.06  -0.00   0.08     0.18   0.07   0.05
     2   6    -0.00   0.04  -0.02    -0.02   0.02  -0.04    -0.02  -0.03  -0.00
     3   1     0.11  -0.06   0.25     0.16   0.02   0.08     0.24   0.03   0.07
     4   1     0.01   0.24  -0.10    -0.17   0.02  -0.01    -0.13   0.01   0.00
     5   6    -0.04  -0.14  -0.20     0.21  -0.00   0.09    -0.10   0.07   0.03
     6   6     0.00   0.01   0.01    -0.01   0.04  -0.20    -0.01  -0.14  -0.05
     7   1    -0.04  -0.34  -0.12     0.46  -0.03   0.05     0.23  -0.10   0.04
     8   1    -0.08  -0.15  -0.39     0.19  -0.01  -0.04    -0.44  -0.07  -0.17
     9   1    -0.04  -0.07  -0.23     0.17   0.02   0.34    -0.15   0.45   0.23
    10   6     0.03   0.04  -0.14    -0.00   0.03  -0.17    -0.09  -0.09  -0.04
    11   6     0.03   0.03  -0.15    -0.02  -0.02   0.03    -0.11   0.03   0.01
    12   6     0.01   0.01  -0.01    -0.06  -0.06   0.20    -0.03   0.09   0.03
    13   6    -0.02  -0.02   0.14    -0.05  -0.03   0.07     0.08   0.04  -0.01
    14   6    -0.02  -0.02   0.15    -0.02   0.02  -0.14     0.07  -0.08  -0.05
    15   1     0.04   0.05  -0.25     0.02   0.05  -0.24    -0.16  -0.14  -0.08
    16   1     0.04   0.05  -0.27    -0.02  -0.03   0.10    -0.20   0.07   0.03
    17   1     0.01   0.00  -0.01    -0.08  -0.10   0.41    -0.03   0.16   0.07
    18   1    -0.03  -0.04   0.25    -0.07  -0.05   0.17     0.16   0.09   0.00
    19   1    -0.03  -0.04   0.26    -0.03   0.04  -0.20     0.16  -0.13  -0.04
                      4                      5                      6
                      A                      A                      A
 Frequencies --    255.6224               287.8783               325.9364
 Red. masses --      1.2689                 1.0418                 3.3800
 Frc consts  --      0.0488                 0.0509                 0.2116
 IR Inten    --      4.7238               123.4820                 0.4163
 RamAct Fr= 1--      0.2053                 0.3684                 1.8995
  Dep-P Fr= 1--      0.6141                 0.6869                 0.0889
  Dep-U Fr= 1--      0.7609                 0.8144                 0.1633
 Alpha2 Fr= 1--      0.0005                 0.0004                 0.0342
 Beta2  Fr= 1--      0.0260                 0.0500                 0.0517
 AlphaG Fr= 1--     -0.0022                -0.0029                 0.0053
 Gamma2 Fr= 1--     -0.0073                -0.0146                -0.2477
 Delta2 Fr= 1--     -0.1036                 0.1210                -0.0237
 Raman1 Fr= 1--       0.821                  1.474                  7.598
 ROA1   Fr= 1--      -4.020                  2.469                -24.541
 CID1   Fr= 1--      -4.897                  1.675                 -3.230
 Raman2 Fr= 1--       0.312                  0.600                  0.620
 ROA2   Fr= 1--       0.653                 -1.318                 -5.756
 CID2   Fr= 1--       2.091                 -2.197                 -9.276
 Raman3 Fr= 1--       0.625                  1.200                  1.241
 ROA3   Fr= 1--      -4.020                  2.469                -24.541
 CID3   Fr= 1--      -6.435                  2.057                -19.776
 RC180  Fr= 1--       0.522                  0.629                 -0.673
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8    -0.04  -0.02  -0.06    -0.02  -0.02  -0.00     0.15   0.09  -0.03
     2   6     0.00   0.00  -0.01    -0.01  -0.01   0.01     0.03   0.04  -0.08
     3   1     0.10   0.11  -0.10     0.87   0.43  -0.13     0.12   0.03  -0.01
     4   1     0.03  -0.02  -0.00    -0.01   0.01   0.01    -0.01   0.08  -0.09
     5   6     0.04  -0.03  -0.00    -0.02  -0.03  -0.00     0.25  -0.02  -0.03
     6   6    -0.01   0.03   0.03    -0.01   0.00   0.00    -0.03  -0.03  -0.00
     7   1     0.50  -0.35   0.04    -0.13   0.02  -0.00     0.22   0.09  -0.07
     8   1    -0.31  -0.16  -0.41     0.06   0.00   0.06     0.54   0.10   0.02
     9   1    -0.03   0.38   0.32     0.00  -0.10  -0.08     0.25  -0.35   0.07
    10   6     0.01   0.02   0.05     0.00   0.00  -0.00    -0.11  -0.03   0.10
    11   6     0.02  -0.00   0.01    -0.00   0.00   0.01    -0.12   0.00   0.03
    12   6     0.01  -0.01  -0.04     0.00   0.00   0.00    -0.11   0.03  -0.13
    13   6    -0.02  -0.00   0.00    -0.00   0.01  -0.02    -0.08  -0.02   0.03
    14   6    -0.03   0.02   0.05    -0.00   0.01   0.00    -0.08  -0.07   0.11
    15   1     0.04   0.04   0.07     0.04   0.03  -0.03    -0.15  -0.07   0.14
    16   1     0.04  -0.01   0.00    -0.00   0.00   0.02    -0.12  -0.00   0.04
    17   1     0.01  -0.02  -0.10     0.00   0.00  -0.00    -0.09   0.07  -0.28
    18   1    -0.04  -0.01  -0.01    -0.00   0.01  -0.04    -0.05  -0.01   0.06
    19   1    -0.05   0.03   0.07    -0.00   0.01   0.01    -0.09  -0.08   0.19
                      7                      8                      9
                      A                      A                      A
 Frequencies --    397.2469               414.6626               467.3430
 Red. masses --      4.5432                 2.9593                 2.9733
 Frc consts  --      0.4224                 0.2998                 0.3826
 IR Inten    --      7.5308                 1.3417                 2.8514
 RamAct Fr= 1--      1.4406                 0.0069                 2.5684
  Dep-P Fr= 1--      0.5422                 0.6264                 0.1357
  Dep-U Fr= 1--      0.7032                 0.7703                 0.2390
 Alpha2 Fr= 1--      0.0058                 0.0000                 0.0412
 Beta2  Fr= 1--      0.1688                 0.0009                 0.1023
 AlphaG Fr= 1--     -0.0078                -0.0007                 0.0202
 Gamma2 Fr= 1--      0.2708                -0.0433                 0.1729
 Delta2 Fr= 1--      0.0390                -0.0180                -0.1215
 Raman1 Fr= 1--       5.762                  0.028                 10.273
 ROA1   Fr= 1--      27.240                 -4.731                 12.706
 CID1   Fr= 1--       4.727               -171.774                  1.237
 Raman2 Fr= 1--       2.026                  0.011                  1.228
 ROA2   Fr= 1--       6.186                 -0.895                  5.120
 CID2   Fr= 1--       3.053                -84.406                  4.170
 Raman3 Fr= 1--       4.052                  0.021                  2.456
 ROA3   Fr= 1--      27.240                 -4.731                 12.706
 CID3   Fr= 1--       6.723               -223.010                  5.175
 RC180  Fr= 1--       0.406                  0.541                 -0.522
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8     0.28  -0.01  -0.09    -0.01  -0.00   0.01    -0.07   0.19  -0.11
     2   6     0.08  -0.07   0.16    -0.00   0.00  -0.01    -0.13   0.11   0.10
     3   1    -0.06   0.02  -0.11     0.13   0.05  -0.01    -0.24   0.33  -0.16
     4   1     0.17  -0.16   0.17    -0.01   0.00  -0.01    -0.14   0.09   0.12
     5   6    -0.04  -0.17   0.05    -0.01   0.01  -0.00     0.02  -0.12   0.04
     6   6    -0.01   0.07   0.14     0.00  -0.01  -0.02    -0.05  -0.08   0.07
     7   1    -0.14  -0.36   0.15    -0.00   0.02  -0.01     0.01  -0.35   0.13
     8   1    -0.04  -0.17  -0.11    -0.00   0.01   0.01     0.31   0.01  -0.28
     9   1    -0.02  -0.15  -0.08    -0.01   0.02   0.00     0.03  -0.41   0.11
    10   6    -0.01   0.13  -0.05    -0.03  -0.05   0.22     0.01  -0.10  -0.03
    11   6    -0.01   0.06  -0.09     0.02   0.03  -0.19     0.01  -0.03  -0.05
    12   6    -0.13  -0.04   0.12     0.01   0.01  -0.01     0.07   0.01   0.07
    13   6    -0.13   0.00  -0.06    -0.02  -0.03   0.21     0.08   0.03  -0.02
    14   6    -0.10   0.08  -0.11     0.03   0.03  -0.20     0.06  -0.04  -0.02
    15   1     0.00   0.14  -0.15    -0.05  -0.08   0.45     0.01  -0.09  -0.08
    16   1     0.09   0.03  -0.21     0.04   0.08  -0.43    -0.06   0.02  -0.12
    17   1    -0.14  -0.12   0.25     0.01   0.02  -0.04     0.07   0.04   0.13
    18   1    -0.14   0.00  -0.14    -0.04  -0.07   0.45     0.10   0.04  -0.09
    19   1    -0.18   0.17  -0.28     0.06   0.07  -0.42     0.16  -0.07  -0.09
                     10                     11                     12
                      A                      A                      A
 Frequencies --    529.4549               613.8005               638.1778
 Red. masses --      3.4072                 3.2970                 6.3662
 Frc consts  --      0.5627                 0.7318                 1.5276
 IR Inten    --     20.8339                 7.1382                 0.0719
 RamAct Fr= 1--      1.8936                 1.0542                 4.2629
  Dep-P Fr= 1--      0.2689                 0.7157                 0.7496
  Dep-U Fr= 1--      0.4239                 0.8343                 0.8569
 Alpha2 Fr= 1--      0.0213                 0.0006                 0.0000
 Beta2  Fr= 1--      0.1338                 0.1466                 0.6088
 AlphaG Fr= 1--     -0.0139                -0.0025                 0.0006
 Gamma2 Fr= 1--     -0.4418                 0.0218                 0.1375
 Delta2 Fr= 1--     -0.2795                 0.0714                 0.0090
 Raman1 Fr= 1--       7.574                  4.217                 17.051
 ROA1   Fr= 1--     -51.355                  4.373                 13.493
 CID1   Fr= 1--      -6.780                  1.037                  0.791
 Raman2 Fr= 1--       1.605                  1.759                  7.305
 ROA2   Fr= 1--      -8.366                 -0.049                  3.229
 CID2   Fr= 1--      -5.212                 -0.028                  0.442
 Raman3 Fr= 1--       3.211                  3.518                 14.611
 ROA3   Fr= 1--     -51.355                  4.373                 13.493
 CID3   Fr= 1--     -15.995                  1.243                  0.924
 RC180  Fr= 1--      -0.152                  0.669                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8    -0.11  -0.04   0.03    -0.09   0.01  -0.03    -0.00   0.03   0.00
     2   6     0.11   0.06  -0.03     0.16   0.10   0.19     0.01   0.00   0.02
     3   1     0.08   0.01   0.02    -0.14   0.26  -0.12     0.03   0.05  -0.01
     4   1     0.28   0.13  -0.09     0.16   0.03   0.22     0.01   0.00   0.02
     5   6     0.10   0.14  -0.09     0.01   0.01  -0.00    -0.01   0.00   0.00
     6   6     0.04  -0.08   0.25     0.16  -0.01  -0.07    -0.00   0.14   0.02
     7   1     0.17   0.21  -0.13    -0.26  -0.26   0.15    -0.02  -0.03   0.02
     8   1     0.04   0.11  -0.02    -0.08  -0.02  -0.17    -0.01   0.00  -0.03
     9   1     0.09   0.22  -0.05     0.06   0.12  -0.34    -0.00   0.01  -0.02
    10   6    -0.04  -0.02   0.02     0.00   0.04  -0.05    -0.25   0.20   0.00
    11   6    -0.05   0.04  -0.12    -0.05   0.07   0.08    -0.24  -0.24  -0.06
    12   6    -0.10  -0.02   0.15    -0.14   0.03  -0.11     0.00  -0.14  -0.03
    13   6     0.02  -0.03  -0.12    -0.00  -0.10   0.05     0.26  -0.23  -0.00
    14   6     0.01  -0.09   0.01     0.03  -0.14  -0.08     0.23   0.21   0.05
    15   1    -0.10  -0.04  -0.25    -0.16  -0.07   0.07    -0.10   0.29   0.04
    16   1    -0.00   0.07  -0.40    -0.00  -0.01   0.30    -0.09  -0.33  -0.04
    17   1    -0.11   0.01   0.20    -0.15   0.04  -0.05    -0.02   0.29   0.04
    18   1     0.12   0.07  -0.38     0.12  -0.05   0.30     0.13  -0.32  -0.01
    19   1     0.01  -0.03  -0.26    -0.07  -0.13   0.08     0.07   0.29   0.06
                     13                     14                     15
                      A                      A                      A
 Frequencies --    714.0793               755.9441               781.3334
 Red. masses --      1.7922                 2.8187                 2.1314
 Frc consts  --      0.5384                 0.9490                 0.7666
 IR Inten    --     39.6210                17.1668                17.2825
 RamAct Fr= 1--      0.0656                10.7401                 5.9028
  Dep-P Fr= 1--      0.4641                 0.0470                 0.1759
  Dep-U Fr= 1--      0.6340                 0.0897                 0.2991
 Alpha2 Fr= 1--      0.0004                 0.2137                 0.0854
 Beta2  Fr= 1--      0.0069                 0.1606                 0.2943
 AlphaG Fr= 1--      0.0013                -0.0426                -0.0005
 Gamma2 Fr= 1--      0.0436                 1.2554                 0.9783
 Delta2 Fr= 1--     -0.0067                 0.3578                 0.0708
 Raman1 Fr= 1--       0.263                 42.960                 23.611
 ROA1   Fr= 1--       3.974                131.965                 96.180
 CID1   Fr= 1--      15.135                  3.072                  4.073
 Raman2 Fr= 1--       0.083                  1.927                  3.531
 ROA2   Fr= 1--       1.101                 27.266                 22.912
 CID2   Fr= 1--      13.231                 14.152                  6.488
 Raman3 Fr= 1--       0.166                  3.853                  7.062
 ROA3   Fr= 1--       3.974                131.965                 96.180
 CID3   Fr= 1--      23.872                 34.247                 13.619
 RC180  Fr= 1--       0.268                 -0.821                 -0.402
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8     0.00   0.00  -0.00     0.01  -0.06   0.01    -0.00   0.04  -0.00
     2   6     0.00   0.00   0.00     0.08   0.03   0.09    -0.09  -0.04  -0.09
     3   1     0.01   0.02  -0.01    -0.02   0.05  -0.04     0.07  -0.07   0.04
     4   1    -0.04  -0.01   0.02     0.19   0.00   0.07     0.04   0.08  -0.16
     5   6    -0.00  -0.00   0.00     0.07   0.08  -0.06    -0.04  -0.04   0.01
     6   6     0.02   0.02  -0.10    -0.10  -0.03   0.12     0.02  -0.03   0.18
     7   1    -0.03  -0.02   0.01    -0.02  -0.01  -0.01     0.21   0.16  -0.12
     8   1    -0.02  -0.01   0.00     0.03   0.07  -0.12     0.06   0.00   0.14
     9   1     0.00   0.01  -0.03     0.09   0.14  -0.19    -0.09  -0.16   0.33
    10   6    -0.01  -0.00   0.08    -0.03  -0.11  -0.10     0.03   0.08  -0.04
    11   6     0.02   0.03  -0.14    -0.06  -0.13  -0.02     0.04   0.08   0.02
    12   6    -0.02  -0.01   0.07     0.13   0.03  -0.08    -0.05   0.01  -0.11
    13   6     0.02   0.02  -0.14    -0.06   0.11   0.03     0.03  -0.07  -0.00
    14   6    -0.01  -0.02   0.07    -0.04   0.11  -0.07     0.04  -0.04  -0.08
    15   1    -0.05  -0.06   0.49     0.02  -0.10   0.09    -0.01   0.05  -0.01
    16   1    -0.01  -0.03   0.19    -0.28  -0.12   0.41     0.10  -0.04   0.42
    17   1    -0.08  -0.10   0.56     0.07  -0.05   0.42    -0.11  -0.10   0.44
    18   1    -0.01  -0.04   0.20    -0.24  -0.05   0.42     0.07  -0.10   0.42
    19   1    -0.06  -0.10   0.50     0.03   0.03   0.11    -0.02  -0.03   0.01
                     16                     17                     18
                      A                      A                      A
 Frequencies --    856.9221               913.0837               922.4709
 Red. masses --      1.2493                 2.2620                 1.3763
 Frc consts  --      0.5405                 1.1111                 0.6901
 IR Inten    --      0.1375                 9.6157                 1.7389
 RamAct Fr= 1--      1.8557                 2.3129                 1.5522
  Dep-P Fr= 1--      0.7350                 0.6861                 0.3985
  Dep-U Fr= 1--      0.8473                 0.8138                 0.5699
 Alpha2 Fr= 1--      0.0005                 0.0026                 0.0116
 Beta2  Fr= 1--      0.2620                 0.3137                 0.1474
 AlphaG Fr= 1--     -0.0010                -0.0154                -0.0099
 Gamma2 Fr= 1--     -0.1711                -2.2556                -0.8620
 Delta2 Fr= 1--     -0.0138                -1.5843                 0.0909
 Raman1 Fr= 1--       7.423                  9.252                  6.209
 ROA1   Fr= 1--     -16.863               -267.230                -79.848
 CID1   Fr= 1--      -2.272                -28.885                -12.861
 Raman2 Fr= 1--       3.144                  3.765                  1.769
 ROA2   Fr= 1--      -3.996                -41.459                -21.416
 CID2   Fr= 1--      -1.271                -11.013                -12.105
 Raman3 Fr= 1--       6.289                  7.529                  3.538
 ROA3   Fr= 1--     -16.863               -267.230                -79.848
 CID3   Fr= 1--      -2.681                -35.493                -22.567
 RC180  Fr= 1--       0.695                  0.628                  0.140
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8    -0.00   0.00  -0.00     0.07  -0.14   0.01    -0.00   0.00   0.00
     2   6     0.00   0.00  -0.00    -0.16   0.02   0.07     0.01   0.00  -0.01
     3   1    -0.02  -0.00   0.00     0.03  -0.07  -0.02    -0.01  -0.03   0.01
     4   1     0.01   0.00  -0.00    -0.26  -0.19   0.17    -0.10  -0.07   0.04
     5   6     0.00  -0.00   0.00     0.00   0.18  -0.07     0.01   0.00   0.02
     6   6     0.00  -0.00   0.01    -0.04  -0.01  -0.00     0.01   0.01  -0.06
     7   1    -0.00   0.00  -0.00     0.03  -0.22   0.07    -0.09  -0.08   0.07
     8   1    -0.01  -0.01   0.01     0.38   0.35  -0.59    -0.03  -0.01  -0.04
     9   1     0.00   0.00  -0.01     0.02  -0.22  -0.04     0.03   0.04  -0.11
    10   6    -0.01  -0.01   0.07     0.01   0.04   0.01    -0.02  -0.01   0.09
    11   6    -0.01  -0.01   0.07     0.04   0.06   0.02     0.00  -0.00   0.01
    12   6     0.00  -0.00   0.01    -0.03  -0.01  -0.00     0.02   0.02  -0.10
    13   6     0.01   0.02  -0.07     0.04  -0.05  -0.01     0.00   0.00  -0.01
    14   6     0.01   0.02  -0.08     0.01  -0.01  -0.00    -0.01  -0.02   0.09
    15   1     0.04   0.06  -0.47     0.02   0.05   0.02     0.04   0.06  -0.52
    16   1     0.06   0.08  -0.49     0.12   0.03  -0.02     0.01   0.01  -0.06
    17   1     0.01   0.00  -0.04    -0.02  -0.01  -0.02    -0.06  -0.11   0.60
    18   1    -0.06  -0.09   0.46     0.08  -0.03   0.04    -0.01  -0.01   0.04
    19   1    -0.05  -0.10   0.52     0.03  -0.03   0.02     0.05   0.10  -0.49
                     19                     20                     21
                      A                      A                      A
 Frequencies --    961.3666               978.6806              1024.9496
 Red. masses --      1.3481                 1.2415                 6.0437
 Frc consts  --      0.7341                 0.7006                 3.7408
 IR Inten    --      0.1607                 0.2299                 0.3631
 RamAct Fr= 1--      0.1089                 0.2708                51.4140
  Dep-P Fr= 1--      0.2288                 0.1105                 0.0500
  Dep-U Fr= 1--      0.3724                 0.1990                 0.0953
 Alpha2 Fr= 1--      0.0014                 0.0046                 1.0155
 Beta2  Fr= 1--      0.0068                 0.0090                 0.8168
 AlphaG Fr= 1--      0.0050                 0.0117                 0.0348
 Gamma2 Fr= 1--      0.2631                 0.0073                 0.0637
 Delta2 Fr= 1--     -0.0462                 0.0193                 0.0461
 Raman1 Fr= 1--       0.436                  1.083                205.656
 ROA1   Fr= 1--      23.781                  1.323                  7.592
 CID1   Fr= 1--      54.591                  1.222                  0.037
 Raman2 Fr= 1--       0.081                  0.108                  9.801
 ROA2   Fr= 1--       6.684                  0.022                  1.161
 CID2   Fr= 1--      82.408                  0.200                  0.118
 Raman3 Fr= 1--       0.162                  0.216                 19.603
 ROA3   Fr= 1--      23.781                  1.323                  7.592
 CID3   Fr= 1--     146.605                  6.139                  0.387
 RC180  Fr= 1--      -0.255                 -0.602                 -0.809
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8    -0.00   0.00  -0.00    -0.00   0.00   0.00     0.00   0.01  -0.00
     2   6     0.00   0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.02   0.01
     3   1     0.01   0.01  -0.00     0.00  -0.02   0.01     0.03  -0.01   0.01
     4   1     0.02   0.01  -0.01    -0.02  -0.02   0.01    -0.05  -0.04   0.02
     5   6    -0.00  -0.00   0.00     0.00   0.00   0.01     0.03   0.01  -0.01
     6   6     0.00   0.00   0.00     0.00  -0.00   0.00    -0.01   0.00   0.01
     7   1     0.01   0.01  -0.01    -0.02  -0.03   0.02    -0.03  -0.00   0.00
     8   1     0.00  -0.00   0.02    -0.00   0.00  -0.02    -0.03  -0.02   0.01
     9   1    -0.01   0.00   0.02     0.01   0.00  -0.02     0.03   0.05  -0.08
    10   6     0.01   0.01  -0.08    -0.01  -0.00   0.05    -0.21   0.34   0.02
    11   6    -0.01  -0.02   0.07     0.01   0.02  -0.09    -0.01  -0.04   0.00
    12   6    -0.01  -0.00   0.02    -0.00  -0.01   0.08     0.37   0.02   0.05
    13   6     0.01   0.02  -0.10     0.01   0.01  -0.06    -0.02   0.04   0.01
    14   6    -0.01  -0.01   0.09    -0.00  -0.01   0.02    -0.16  -0.35  -0.08
    15   1    -0.02  -0.05   0.43     0.02   0.05  -0.39    -0.14   0.39   0.14
    16   1     0.03   0.06  -0.37    -0.06  -0.10   0.58     0.04  -0.04  -0.05
    17   1     0.01   0.03  -0.11     0.07   0.08  -0.50     0.38   0.00   0.06
    18   1    -0.06  -0.10   0.59    -0.05  -0.08   0.40     0.02   0.04   0.01
    19   1     0.05   0.10  -0.50     0.02   0.04  -0.21    -0.08  -0.41  -0.07
                     22                     23                     24
                      A                      A                      A
 Frequencies --   1030.6125              1052.8848              1068.1301
 Red. masses --      1.9719                 2.1783                 1.6872
 Frc consts  --      1.2340                 1.4227                 1.1341
 IR Inten    --     32.1969                24.2766                11.4777
 RamAct Fr= 1--      4.4756                24.7320                 6.7700
  Dep-P Fr= 1--      0.3712                 0.0484                 0.3134
  Dep-U Fr= 1--      0.5414                 0.0924                 0.4772
 Alpha2 Fr= 1--      0.0366                 0.4904                 0.0667
 Beta2  Fr= 1--      0.4038                 0.3808                 0.5385
 AlphaG Fr= 1--      0.0094                -0.0381                -0.0404
 Gamma2 Fr= 1--      0.7821                -0.2598                -0.8095
 Delta2 Fr= 1--      1.2260                -0.4661                 0.5735
 Raman1 Fr= 1--      17.902                 98.928                 27.080
 ROA1   Fr= 1--     114.318                -39.857                -59.356
 CID1   Fr= 1--       6.386                 -0.403                 -2.192
 Raman2 Fr= 1--       4.846                  4.569                  6.462
 ROA2   Fr= 1--       8.963                 -2.506                -24.015
 CID2   Fr= 1--       1.849                 -0.548                 -3.716
 Raman3 Fr= 1--       9.692                  9.138                 12.924
 ROA3   Fr= 1--     114.318                -39.857                -59.356
 CID3   Fr= 1--      11.795                 -4.362                 -4.593
 RC180  Fr= 1--       0.083                 -0.815                 -0.046
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8     0.04  -0.11   0.00    -0.03   0.03  -0.00     0.02  -0.01   0.01
     2   6     0.04   0.17   0.02     0.02  -0.03  -0.07    -0.07  -0.06   0.13
     3   1    -0.08   0.12  -0.09     0.13  -0.25   0.11    -0.24   0.42  -0.16
     4   1     0.32   0.37  -0.13    -0.01  -0.18   0.01    -0.14   0.16   0.06
     5   6    -0.13  -0.03  -0.00    -0.02   0.03   0.05     0.06  -0.03  -0.12
     6   6     0.07   0.03  -0.06     0.05  -0.01   0.03    -0.04  -0.01  -0.03
     7   1     0.27   0.08  -0.11    -0.09  -0.22   0.16     0.16   0.39  -0.30
     8   1     0.21   0.11   0.05     0.08   0.08  -0.20    -0.10  -0.10   0.28
     9   1    -0.20  -0.34   0.53     0.00  -0.12  -0.04     0.02   0.24   0.01
    10   6     0.00  -0.01   0.02     0.04   0.06   0.01     0.01   0.04   0.02
    11   6    -0.04  -0.07  -0.02    -0.02  -0.17  -0.03     0.02  -0.04  -0.01
    12   6     0.01   0.02  -0.00    -0.12  -0.01  -0.02    -0.06  -0.01  -0.01
    13   6    -0.02   0.04   0.01    -0.05   0.18   0.03     0.01   0.06   0.01
    14   6    -0.02  -0.03   0.01     0.05  -0.04  -0.01     0.03  -0.02   0.01
    15   1     0.04   0.03  -0.11     0.26   0.20   0.08     0.15   0.13  -0.05
    16   1    -0.07  -0.05  -0.01     0.26  -0.33  -0.02     0.21  -0.14   0.01
    17   1     0.00   0.09   0.05    -0.13  -0.05  -0.03    -0.07  -0.06  -0.02
    18   1     0.02   0.07  -0.01     0.20   0.35   0.09     0.15   0.15   0.05
    19   1    -0.03  -0.01  -0.06     0.32  -0.18   0.03     0.20  -0.09  -0.06
                     25                     26                     27
                      A                      A                      A
 Frequencies --   1096.7204              1126.5183              1185.0647
 Red. masses --      1.8986                 2.1074                 1.1172
 Frc consts  --      1.3455                 1.5757                 0.9244
 IR Inten    --     27.8142                29.7377                 0.2513
 RamAct Fr= 1--      3.4816                 7.4647                 3.4179
  Dep-P Fr= 1--      0.2526                 0.1365                 0.7411
  Dep-U Fr= 1--      0.4034                 0.2402                 0.8513
 Alpha2 Fr= 1--      0.0410                 0.1194                 0.0005
 Beta2  Fr= 1--      0.2341                 0.2988                 0.4849
 AlphaG Fr= 1--      0.0180                -0.0204                 0.0007
 Gamma2 Fr= 1--      0.6285                -1.2967                 0.1855
 Delta2 Fr= 1--      0.3672                -0.5485                 0.2211
 Raman1 Fr= 1--      13.926                 29.859                 13.672
 ROA1   Fr= 1--      72.086               -142.032                 24.881
 CID1   Fr= 1--       5.176                 -4.757                  1.820
 Raman2 Fr= 1--       2.809                  3.586                  5.819
 ROA2   Fr= 1--      12.146                -26.732                  2.682
 CID2   Fr= 1--       4.324                 -7.455                  0.461
 Raman3 Fr= 1--       5.617                  7.171                 11.638
 ROA3   Fr= 1--      72.086               -142.032                 24.881
 CID3   Fr= 1--      12.833                -19.806                  2.138
 RC180  Fr= 1--      -0.193                 -0.520                  0.703
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8     0.04  -0.06  -0.00     0.04  -0.09  -0.00    -0.00   0.00  -0.00
     2   6    -0.05   0.12  -0.06    -0.03   0.19  -0.08     0.00  -0.00   0.00
     3   1    -0.03  -0.05  -0.01    -0.05   0.06  -0.07     0.01  -0.01   0.01
     4   1    -0.12   0.08  -0.03    -0.12   0.27  -0.10     0.02  -0.02   0.00
     5   6     0.06  -0.04   0.05     0.04  -0.05   0.08    -0.00  -0.00  -0.00
     6   6    -0.08   0.05   0.03    -0.07  -0.03   0.03    -0.01   0.00  -0.00
     7   1    -0.20  -0.03   0.09    -0.24  -0.07   0.14     0.01   0.01  -0.01
     8   1    -0.20  -0.14   0.10    -0.19  -0.14   0.09     0.00   0.00   0.00
     9   1     0.08   0.19  -0.21     0.06   0.16  -0.17    -0.00   0.00   0.00
    10   6     0.09  -0.03   0.00    -0.09   0.02  -0.02    -0.01  -0.01  -0.00
    11   6    -0.02  -0.05  -0.01     0.06   0.05   0.02     0.05  -0.02   0.00
    12   6    -0.03   0.07   0.01    -0.01  -0.06  -0.01    -0.01   0.07   0.01
    13   6     0.08  -0.06  -0.00    -0.02   0.03   0.00    -0.04  -0.02  -0.01
    14   6    -0.07  -0.06  -0.03     0.08   0.02   0.01     0.01  -0.01  -0.00
    15   1     0.46   0.20   0.07    -0.31  -0.11   0.01    -0.15  -0.10  -0.02
    16   1    -0.12  -0.01   0.01     0.27  -0.06   0.02     0.45  -0.23   0.01
    17   1    -0.05   0.47   0.07     0.01  -0.41  -0.08    -0.04   0.65   0.11
    18   1     0.33   0.09   0.06    -0.09  -0.02  -0.00    -0.39  -0.24  -0.09
    19   1    -0.25   0.01   0.00     0.43  -0.16   0.03     0.17  -0.09  -0.00
                     28                     29                     30
                      A                      A                      A
 Frequencies --   1206.0194              1218.8630              1284.3630
 Red. masses --      1.1768                 2.0955                 1.6500
 Frc consts  --      1.0085                 1.8342                 1.6036
 IR Inten    --      2.9172                19.5853                 8.9940
 RamAct Fr= 1--      6.6658                11.0084                 5.7359
  Dep-P Fr= 1--      0.4714                 0.0763                 0.0727
  Dep-U Fr= 1--      0.6407                 0.1417                 0.1355
 Alpha2 Fr= 1--      0.0374                 0.2042                 0.1073
 Beta2  Fr= 1--      0.7118                 0.2600                 0.1295
 AlphaG Fr= 1--      0.0233                -0.0593                -0.0134
 Gamma2 Fr= 1--      0.6002                -0.8093                -0.6789
 Delta2 Fr= 1--      0.0281                 0.2281                 0.3431
 Raman1 Fr= 1--      26.663                 44.033                 22.944
 ROA1   Fr= 1--      58.521                -70.390                -54.196
 CID1   Fr= 1--       2.195                 -1.599                 -2.362
 Raman2 Fr= 1--       8.542                  3.120                  1.554
 ROA2   Fr= 1--      14.181                -21.247                -19.039
 CID2   Fr= 1--       1.660                 -6.810                -12.249
 Raman3 Fr= 1--      17.084                  6.240                  3.109
 ROA3   Fr= 1--      58.521                -70.390                -54.196
 CID3   Fr= 1--       3.425                -11.281                -17.433
 RC180  Fr= 1--       0.281                 -0.717                 -0.729
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8    -0.00   0.01  -0.00     0.02  -0.03   0.01    -0.00  -0.01   0.04
     2   6     0.03   0.00   0.01    -0.10  -0.00  -0.05     0.11  -0.11  -0.08
     3   1     0.02  -0.07   0.03    -0.16   0.27  -0.11    -0.32   0.57  -0.19
     4   1     0.13  -0.04   0.01    -0.58   0.13  -0.01    -0.08   0.42  -0.26
     5   6    -0.01  -0.00  -0.00     0.03   0.00   0.00    -0.03   0.05   0.07
     6   6    -0.07   0.01  -0.01     0.23  -0.05   0.06    -0.08  -0.08  -0.01
     7   1     0.03   0.02  -0.02    -0.10   0.00   0.02     0.01  -0.18   0.14
     8   1     0.03   0.01   0.01    -0.09  -0.05  -0.01     0.08   0.10  -0.20
     9   1    -0.01   0.00   0.03     0.03   0.04  -0.08     0.01  -0.16  -0.10
    10   6     0.03   0.02   0.01     0.07   0.04   0.01     0.00   0.02   0.00
    11   6    -0.02   0.04   0.00    -0.09  -0.04  -0.02     0.00   0.03   0.00
    12   6    -0.01   0.00  -0.00     0.02  -0.01   0.00    -0.00  -0.02  -0.00
    13   6    -0.03  -0.04  -0.01    -0.07   0.05   0.00     0.04  -0.00   0.00
    14   6     0.05  -0.03   0.00     0.03   0.01  -0.00    -0.04   0.03  -0.00
    15   1     0.44   0.28   0.06     0.04   0.02   0.03     0.19   0.14   0.04
    16   1    -0.36   0.21  -0.00    -0.34   0.09  -0.02     0.14  -0.04   0.02
    17   1    -0.01  -0.04  -0.01     0.01   0.10   0.02    -0.01   0.06   0.01
    18   1    -0.34  -0.23  -0.08    -0.46  -0.19  -0.08     0.01  -0.02  -0.00
    19   1     0.51  -0.26  -0.00    -0.08   0.07   0.01    -0.05   0.03   0.01
                     31                     32                     33
                      A                      A                      A
 Frequencies --   1328.7028              1342.9850              1359.6651
 Red. masses --      1.9455                 2.2933                 1.4856
 Frc consts  --      2.0236                 2.4370                 1.6181
 IR Inten    --     11.6539                 5.0029                 0.3975
 RamAct Fr= 1--      7.6956                 3.2084                 3.1814
  Dep-P Fr= 1--      0.2700                 0.3616                 0.2820
  Dep-U Fr= 1--      0.4252                 0.5312                 0.4399
 Alpha2 Fr= 1--      0.0862                 0.0271                 0.0344
 Beta2  Fr= 1--      0.5453                 0.2840                 0.2333
 AlphaG Fr= 1--      0.0231                -0.0393                -0.0459
 Gamma2 Fr= 1--      0.5509                -0.7308                -0.7228
 Delta2 Fr= 1--     -0.7347                -0.6962                -0.0376
 Raman1 Fr= 1--      30.783                 12.834                 12.725
 ROA1   Fr= 1--      29.382                -92.435                -70.592
 CID1   Fr= 1--       0.954                 -7.203                 -5.547
 Raman2 Fr= 1--       6.544                  3.408                  2.799
 ROA2   Fr= 1--      19.100                -11.969                -17.046
 CID2   Fr= 1--       2.919                 -3.512                 -6.090
 Raman3 Fr= 1--      13.088                  6.817                  5.598
 ROA3   Fr= 1--      29.382                -92.435                -70.592
 CID3   Fr= 1--       2.245                -13.560                -12.610
 RC180  Fr= 1--      -0.150                  0.062                 -0.120
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8     0.02   0.00   0.01    -0.00   0.01  -0.03     0.00  -0.00   0.01
     2   6    -0.14  -0.11  -0.00    -0.12  -0.01   0.07     0.03  -0.01  -0.02
     3   1    -0.07   0.16  -0.05     0.16  -0.32   0.10    -0.03   0.11  -0.03
     4   1     0.61   0.34  -0.34     0.65   0.34  -0.23    -0.11  -0.11   0.05
     5   6     0.04   0.04   0.05     0.05   0.01   0.02    -0.02  -0.01   0.01
     6   6     0.05   0.15   0.00     0.03  -0.16  -0.06    -0.02   0.05   0.01
     7   1    -0.13  -0.04   0.10    -0.14  -0.01   0.06     0.05   0.04  -0.03
     8   1    -0.09  -0.00  -0.19    -0.08  -0.03  -0.03     0.06   0.02  -0.04
     9   1     0.08   0.00  -0.18     0.06   0.09  -0.08    -0.01   0.02  -0.02
    10   6    -0.02  -0.04  -0.00     0.08   0.06   0.02     0.11   0.04   0.02
    11   6     0.05  -0.06  -0.00    -0.11   0.06  -0.00    -0.03   0.00  -0.00
    12   6    -0.00   0.06   0.01     0.01  -0.11  -0.02     0.01  -0.10  -0.02
    13   6    -0.07  -0.04  -0.02     0.10   0.07   0.03     0.03  -0.00   0.00
    14   6     0.06  -0.05   0.00    -0.09   0.05   0.00    -0.11   0.03  -0.01
    15   1    -0.17  -0.13  -0.05     0.02   0.03  -0.01    -0.46  -0.31  -0.08
    16   1    -0.25   0.10  -0.02     0.19  -0.09   0.01    -0.26   0.12  -0.01
    17   1    -0.00  -0.02  -0.00    -0.00   0.09   0.02    -0.02   0.31   0.05
    18   1     0.12   0.08   0.03    -0.19  -0.11  -0.05     0.24   0.13   0.05
    19   1     0.12  -0.08  -0.02    -0.03   0.02  -0.02     0.50  -0.28   0.01
                     34                     35                     36
                      A                      A                      A
 Frequencies --   1407.6928              1412.8236              1484.1459
 Red. masses --      1.2216                 1.2022                 1.7785
 Frc consts  --      1.4262                 1.4138                 2.3082
 IR Inten    --      6.0773                43.5650                 9.6824
 RamAct Fr= 1--      0.9607                 6.5973                 1.3606
  Dep-P Fr= 1--      0.7497                 0.5357                 0.7243
  Dep-U Fr= 1--      0.8569                 0.6977                 0.8401
 Alpha2 Fr= 1--      0.0000                 0.0273                 0.0006
 Beta2  Fr= 1--      0.1372                 0.7671                 0.1905
 AlphaG Fr= 1--     -0.0001                -0.0380                 0.0074
 Gamma2 Fr= 1--     -0.1899                -0.8919                 4.1049
 Delta2 Fr= 1--     -0.2450                 0.9243                -1.4597
 Raman1 Fr= 1--       3.843                 26.389                  5.443
 ROA1   Fr= 1--     -26.074                -56.043                347.363
 CID1   Fr= 1--      -6.785                 -2.124                 63.824
 Raman2 Fr= 1--       1.647                  9.205                  2.286
 ROA2   Fr= 1--      -2.599                -28.800                110.195
 CID2   Fr= 1--      -1.578                 -3.129                 48.202
 Raman3 Fr= 1--       3.293                 18.410                  4.572
 ROA3   Fr= 1--     -26.074                -56.043                347.363
 CID3   Fr= 1--      -7.918                 -3.044                 75.972
 RC180  Fr= 1--       0.714                  0.395                  0.680
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8     0.00  -0.00   0.02    -0.01  -0.00  -0.06    -0.01   0.00   0.00
     2   6    -0.00  -0.00  -0.01     0.04  -0.04   0.07     0.01   0.02   0.00
     3   1    -0.06   0.13  -0.04     0.19  -0.41   0.11    -0.01  -0.01   0.00
     4   1     0.08  -0.15   0.03    -0.44   0.68  -0.11     0.08  -0.05   0.01
     5   6     0.06   0.08  -0.09     0.00   0.03  -0.02     0.03  -0.03   0.01
     6   6    -0.01   0.00  -0.00    -0.01   0.01   0.00     0.02  -0.12  -0.02
     7   1    -0.29  -0.41   0.18     0.01  -0.18   0.07    -0.35   0.25  -0.04
     8   1    -0.39  -0.14   0.38     0.01   0.02   0.16    -0.02  -0.02  -0.29
     9   1    -0.01  -0.37   0.43    -0.00  -0.03   0.05    -0.03   0.08   0.28
    10   6     0.00   0.00   0.00    -0.01   0.00   0.00    -0.09   0.03  -0.00
    11   6     0.00   0.00   0.00     0.03  -0.01   0.00     0.11   0.01   0.02
    12   6    -0.00  -0.01  -0.00    -0.00  -0.00  -0.00     0.01  -0.10  -0.02
    13   6     0.00  -0.00   0.00    -0.02  -0.02  -0.00    -0.12  -0.01  -0.02
    14   6    -0.01   0.00   0.00     0.01   0.01   0.00     0.05   0.06   0.02
    15   1    -0.01  -0.01  -0.00    -0.04  -0.02  -0.01     0.12   0.17   0.04
    16   1    -0.01   0.01   0.00    -0.09   0.05  -0.00    -0.23   0.21   0.01
    17   1    -0.00   0.02   0.00    -0.01   0.08   0.01    -0.02   0.51   0.09
    18   1     0.02   0.01   0.00     0.09   0.05   0.02     0.28   0.25   0.08
    19   1     0.06  -0.03  -0.01     0.06  -0.02  -0.00    -0.05   0.12   0.02
                     37                     38                     39
                      A                      A                      A
 Frequencies --   1493.0922              1493.4677              1534.0705
 Red. masses --      1.1869                 1.0487                 2.1773
 Frc consts  --      1.5589                 1.3781                 3.0190
 IR Inten    --      0.4295                11.4754                 9.5881
 RamAct Fr= 1--      2.8035                 3.9090                 0.4676
  Dep-P Fr= 1--      0.7499                 0.7062                 0.7318
  Dep-U Fr= 1--      0.8570                 0.8278                 0.8451
 Alpha2 Fr= 1--      0.0000                 0.0030                 0.0001
 Beta2  Fr= 1--      0.4005                 0.5393                 0.0659
 AlphaG Fr= 1--      0.0004                 0.0209                -0.0012
 Gamma2 Fr= 1--     -2.1087                 1.1388                -0.8365
 Delta2 Fr= 1--      0.0244                 0.6855                 0.0939
 Raman1 Fr= 1--      11.214                 15.636                  1.871
 ROA1   Fr= 1--    -201.656                131.265                -77.300
 CID1   Fr= 1--     -17.983                  8.395                -41.324
 Raman2 Fr= 1--       4.805                  6.472                  0.790
 ROA2   Fr= 1--     -50.805                 21.848                -20.828
 CID2   Fr= 1--     -10.572                  3.376                -26.350
 Raman3 Fr= 1--       9.611                 12.944                  1.581
 ROA3   Fr= 1--    -201.656                131.265                -77.300
 CID3   Fr= 1--     -20.982                 10.141                -48.898
 RC180  Fr= 1--       0.714                  0.656                  0.690
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8     0.00  -0.00   0.00     0.00   0.00   0.01    -0.00   0.00  -0.00
     2   6    -0.03   0.03  -0.00    -0.02  -0.01  -0.02    -0.03  -0.00  -0.00
     3   1    -0.00   0.02  -0.01    -0.05   0.08  -0.03    -0.01  -0.01   0.00
     4   1     0.12  -0.09   0.02     0.09  -0.03  -0.04    -0.04  -0.00   0.00
     5   6    -0.04   0.03   0.01    -0.02  -0.02  -0.04    -0.01   0.00   0.00
     6   6     0.00  -0.05  -0.01     0.00  -0.00  -0.00     0.13   0.01   0.02
     7   1     0.58  -0.30   0.02    -0.16  -0.38   0.15     0.08  -0.04   0.00
     8   1    -0.04  -0.01   0.40     0.53   0.20   0.32     0.00   0.00   0.06
     9   1     0.07  -0.15  -0.50    -0.07   0.58   0.16     0.01  -0.00  -0.08
    10   6    -0.03   0.02   0.00    -0.00   0.00   0.00    -0.06  -0.10  -0.02
    11   6     0.05   0.00   0.01     0.01  -0.00   0.00    -0.12   0.09   0.00
    12   6    -0.00  -0.05  -0.01    -0.00  -0.00  -0.00     0.10   0.02   0.02
    13   6    -0.04   0.01  -0.00    -0.01   0.00  -0.00    -0.10  -0.11  -0.03
    14   6     0.04   0.01   0.01     0.01   0.00   0.00    -0.08   0.09   0.01
    15   1     0.01   0.05   0.01     0.00   0.01   0.00     0.38   0.16   0.06
    16   1    -0.12   0.10   0.00    -0.01   0.01  -0.00     0.44  -0.19   0.02
    17   1    -0.02   0.21   0.04    -0.00   0.02   0.00     0.13  -0.04   0.01
    18   1     0.06   0.08   0.02     0.01   0.01   0.00     0.42   0.19   0.08
    19   1    -0.06   0.07   0.00    -0.02   0.01   0.01     0.45  -0.16   0.02
                     40                     41                     42
                      A                      A                      A
 Frequencies --   1629.0041              1650.0597              3026.4562
 Red. masses --      5.5328                 5.5341                 1.0471
 Frc consts  --      8.6505                 8.8776                 5.6507
 IR Inten    --      0.6841                 4.0958                10.9677
 RamAct Fr= 1--      9.7233                39.0782               232.6243
  Dep-P Fr= 1--      0.6965                 0.6379                 0.0342
  Dep-U Fr= 1--      0.8211                 0.7789                 0.0661
 Alpha2 Fr= 1--      0.0091                 0.0792                 4.7710
 Beta2  Fr= 1--      1.3306                 5.0732                 2.5611
 AlphaG Fr= 1--      0.0283                 0.0128                 0.4882
 Gamma2 Fr= 1--     -0.9934                -0.7187                 4.8321
 Delta2 Fr= 1--     -0.3210                 0.4483                 6.3170
 Raman1 Fr= 1--      38.893                156.313                930.497
 ROA1   Fr= 1--    -105.635                -54.652                666.029
 CID1   Fr= 1--      -2.716                 -0.350                  0.716
 Raman2 Fr= 1--      15.967                 60.879                 30.733
 ROA2   Fr= 1--     -21.273                -20.836                 65.435
 CID2   Fr= 1--      -1.332                 -0.342                  2.129
 Raman3 Fr= 1--      31.935                121.757                 61.465
 ROA3   Fr= 1--    -105.635                -54.652                666.029
 CID3   Fr= 1--      -3.308                 -0.449                 10.836
 RC180  Fr= 1--       0.642                  0.558                 -0.868
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8    -0.01  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
     2   6    -0.00   0.04   0.00     0.03   0.00   0.01     0.01   0.01   0.03
     3   1     0.01  -0.00   0.00     0.00  -0.00   0.00     0.00   0.01   0.01
     4   1     0.13  -0.05   0.01     0.04   0.02  -0.01    -0.07  -0.14  -0.34
     5   6     0.00  -0.00   0.00     0.00   0.00  -0.00     0.01   0.01  -0.05
     6   6     0.00  -0.29  -0.05    -0.21  -0.03  -0.03    -0.00   0.00   0.00
     7   1     0.02  -0.01   0.00    -0.03  -0.00   0.01     0.13   0.28   0.69
     8   1    -0.02  -0.01   0.03    -0.01  -0.00  -0.01     0.13  -0.32  -0.02
     9   1     0.01   0.00  -0.03    -0.00  -0.01   0.04    -0.39  -0.02  -0.08
    10   6     0.09   0.20   0.04     0.28   0.10   0.05    -0.00   0.00   0.00
    11   6     0.09  -0.21  -0.02    -0.27   0.06  -0.02    -0.00   0.00   0.00
    12   6    -0.03   0.36   0.06     0.14   0.00   0.02     0.00  -0.00  -0.00
    13   6    -0.05  -0.20  -0.04    -0.27  -0.08  -0.05     0.00  -0.00  -0.00
    14   6    -0.11   0.17   0.02     0.30  -0.07   0.02    -0.00  -0.00  -0.00
    15   1    -0.32  -0.05  -0.03    -0.28  -0.26  -0.07     0.00  -0.00  -0.00
    16   1    -0.26  -0.05  -0.04     0.25  -0.21  -0.00    -0.00  -0.00  -0.00
    17   1     0.02  -0.49  -0.08     0.15   0.02   0.02    -0.00  -0.00   0.00
    18   1     0.22  -0.05   0.02     0.24   0.25   0.07     0.00   0.00   0.00
    19   1     0.30  -0.03   0.02    -0.33   0.26   0.01     0.01   0.01   0.00
                     43                     44                     45
                      A                      A                      A
 Frequencies --   3038.2243              3096.6057              3116.6657
 Red. masses --      1.0754                 1.0970                 1.1021
 Frc consts  --      5.8489                 6.1975                 6.3077
 IR Inten    --     19.6066                28.8179                23.8105
 RamAct Fr= 1--     49.1454                99.0968                76.0928
  Dep-P Fr= 1--      0.5505                 0.3187                 0.6858
  Dep-U Fr= 1--      0.7101                 0.4834                 0.8136
 Alpha2 Fr= 1--      0.1874                 0.9602                 0.0859
 Beta2  Fr= 1--      5.8162                 7.9838                10.3185
 AlphaG Fr= 1--      0.5792                -0.0179                -0.0430
 Gamma2 Fr= 1--      7.2428               -12.0045                -1.6310
 Delta2 Fr= 1--      0.6067               -10.0304                 1.4384
 Raman1 Fr= 1--     196.582                396.387                304.371
 ROA1   Fr= 1--     714.728              -1473.408               -110.543
 CID1   Fr= 1--       3.636                 -3.717                 -0.363
 Raman2 Fr= 1--      69.794                 95.806                123.822
 ROA2   Fr= 1--     168.974               -207.865                -50.650
 CID2   Fr= 1--       2.421                 -2.170                 -0.409
 Raman3 Fr= 1--     139.588                191.611                247.644
 ROA3   Fr= 1--     714.728              -1473.408               -110.543
 CID3   Fr= 1--       5.120                 -7.690                 -0.446
 RC180  Fr= 1--       0.420                 -0.033                  0.627
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8     0.00  -0.00   0.00     0.00   0.00   0.00    -0.00   0.00   0.00
     2   6    -0.01  -0.03  -0.07    -0.00  -0.01  -0.02     0.00  -0.00  -0.00
     3   1    -0.00   0.00  -0.02    -0.00   0.00  -0.00     0.00   0.00  -0.00
     4   1     0.17   0.33   0.82     0.03   0.06   0.16    -0.00   0.00   0.00
     5   6     0.01   0.01  -0.01    -0.04  -0.06  -0.05     0.07  -0.06   0.01
     6   6    -0.00   0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00   0.00
     7   1     0.03   0.07   0.18     0.10   0.22   0.56     0.02  -0.01   0.01
     8   1     0.10  -0.22  -0.01    -0.20   0.44   0.01    -0.29   0.71   0.03
     9   1    -0.28  -0.01  -0.05     0.59   0.02   0.09    -0.62  -0.04  -0.11
    10   6     0.00   0.00  -0.00     0.00   0.00   0.00    -0.00   0.00  -0.00
    11   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00   0.00
    12   6     0.00   0.00   0.00    -0.00   0.00   0.00     0.00   0.00   0.00
    13   6    -0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.00  -0.00  -0.00
    14   6     0.00  -0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    15   1    -0.00   0.00   0.00     0.00   0.00  -0.00     0.00  -0.00  -0.00
    16   1     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    17   1     0.00   0.00  -0.00     0.00   0.00   0.00    -0.00   0.00   0.00
    18   1    -0.00   0.00  -0.00    -0.00   0.00   0.00    -0.01   0.01   0.00
    19   1    -0.00  -0.00  -0.00    -0.02  -0.03  -0.01    -0.03  -0.05  -0.01
                     46                     47                     48
                      A                      A                      A
 Frequencies --   3160.3657              3169.9116              3179.8401
 Red. masses --      1.0860                 1.0867                 1.0914
 Frc consts  --      6.3905                 6.4339                 6.5021
 IR Inten    --      7.1246                 0.4829                21.5036
 RamAct Fr= 1--     38.7924               106.7556                76.1262
  Dep-P Fr= 1--      0.5480                 0.6019                 0.6727
  Dep-U Fr= 1--      0.7080                 0.7515                 0.8043
 Alpha2 Fr= 1--      0.1500                 0.2925                 0.1042
 Beta2  Fr= 1--      4.5774                13.3705                10.2052
 AlphaG Fr= 1--     -0.1348                -0.0483                -0.1083
 Gamma2 Fr= 1--     -0.8599                 2.5085                -0.6035
 Delta2 Fr= 1--      0.7648                 0.9347                 1.4379
 Raman1 Fr= 1--     155.170                427.022                304.505
 ROA1   Fr= 1--     -58.082                270.726                -11.928
 CID1   Fr= 1--      -0.374                  0.634                 -0.039
 Raman2 Fr= 1--      54.928                160.446                122.462
 ROA2   Fr= 1--     -26.757                 52.727                -25.988
 CID2   Fr= 1--      -0.487                  0.329                 -0.212
 Raman3 Fr= 1--     109.857                320.892                244.924
 ROA3   Fr= 1--     -58.082                270.726                -11.928
 CID3   Fr= 1--      -0.529                  0.844                 -0.049
 RC180  Fr= 1--       0.416                  0.503                  0.609
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     2   6    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
     3   1    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00  -0.00   0.00
     4   1     0.00   0.00   0.01    -0.00  -0.00  -0.00     0.00   0.00   0.00
     5   6     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
     6   6    -0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
     7   1     0.00   0.00   0.01    -0.00  -0.00  -0.00     0.00   0.00   0.00
     8   1    -0.02   0.06   0.00     0.01  -0.02  -0.00    -0.01   0.02   0.00
     9   1    -0.01  -0.00  -0.00     0.00   0.00   0.00    -0.00   0.00  -0.00
    10   6    -0.00   0.00   0.00    -0.01   0.01   0.00    -0.01   0.02   0.00
    11   6    -0.01  -0.01  -0.00    -0.03  -0.05  -0.01    -0.02  -0.04  -0.01
    12   6     0.02   0.00   0.00     0.04   0.00   0.01    -0.03   0.00  -0.00
    13   6    -0.02   0.03   0.00    -0.01   0.01   0.00     0.03  -0.05  -0.00
    14   6    -0.03  -0.06  -0.02     0.01   0.03   0.01    -0.02  -0.03  -0.01
    15   1     0.02  -0.04  -0.00     0.11  -0.17  -0.01     0.11  -0.17  -0.01
    16   1     0.07   0.14   0.03     0.31   0.61   0.14     0.23   0.46   0.10
    17   1    -0.23  -0.01  -0.03    -0.53  -0.02  -0.07     0.33   0.01   0.04
    18   1     0.26  -0.41  -0.04     0.08  -0.12  -0.01    -0.36   0.55   0.06
    19   1     0.36   0.72   0.18    -0.17  -0.33  -0.08     0.16   0.32   0.08
                     49                     50                     51
                      A                      A                      A
 Frequencies --   3192.4005              3201.4134              3780.6753
 Red. masses --      1.0948                 1.0933                 1.0659
 Frc consts  --      6.5738                 6.6019                 8.9763
 IR Inten    --     19.7703                 7.7905                18.7187
 RamAct Fr= 1--    143.5761               193.2368                60.1619
  Dep-P Fr= 1--      0.1335                 0.1146                 0.1513
  Dep-U Fr= 1--      0.2355                 0.2056                 0.2628
 Alpha2 Fr= 1--      2.3139                 3.2642                 0.9270
 Beta2  Fr= 1--      5.6357                 6.6209                 2.6355
 AlphaG Fr= 1--     -0.2858                 0.2042                 1.2570
 Gamma2 Fr= 1--     -2.1884                 3.1366                 8.2770
 Delta2 Fr= 1--     -4.2297                 2.6680                 1.9145
 Raman1 Fr= 1--     574.304                772.947                240.647
 ROA1   Fr= 1--    -345.434                386.485                855.856
 CID1   Fr= 1--      -0.601                  0.500                  3.556
 Raman2 Fr= 1--      67.628                 79.451                 31.626
 ROA2   Fr= 1--     -18.683                 53.934                183.331
 CID2   Fr= 1--      -0.276                  0.679                  5.797
 Raman3 Fr= 1--     135.257                158.902                 63.253
 ROA3   Fr= 1--    -345.434                386.485                855.856
 CID3   Fr= 1--      -2.554                  2.432                 13.531
 RC180  Fr= 1--      -0.529                 -0.589                 -0.474
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00  -0.02  -0.06
     2   6    -0.00   0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
     3   1     0.00   0.00   0.00    -0.00   0.00  -0.00    -0.04   0.35   0.93
     4   1    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.01
     5   6    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
     6   6     0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00   0.00  -0.00
     7   1    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
     8   1     0.00  -0.01  -0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
     9   1     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00   0.00
    10   6    -0.02   0.03   0.00     0.04  -0.06  -0.00     0.00  -0.00  -0.00
    11   6    -0.01  -0.02  -0.00    -0.02  -0.03  -0.01    -0.00   0.00  -0.00
    12   6    -0.06  -0.00  -0.01    -0.02   0.00  -0.00     0.00  -0.00  -0.00
    13   6    -0.02   0.04   0.00    -0.01   0.01   0.00     0.00   0.00   0.00
    14   6     0.01   0.01   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    15   1     0.20  -0.32  -0.02    -0.47   0.73   0.05    -0.00   0.00   0.00
    16   1     0.09   0.19   0.04     0.17   0.34   0.08    -0.00  -0.00  -0.00
    17   1     0.69   0.03   0.08     0.24   0.01   0.03    -0.00   0.00   0.00
    18   1     0.29  -0.45  -0.05     0.07  -0.11  -0.01    -0.00   0.00  -0.00
    19   1    -0.08  -0.16  -0.04    -0.02  -0.04  -0.01     0.00   0.00   0.00

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  8 and mass  15.99491
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  1 and mass   1.00783
 Atom     4 has atomic number  1 and mass   1.00783
 Atom     5 has atomic number  6 and mass  12.00000
 Atom     6 has atomic number  6 and mass  12.00000
 Atom     7 has atomic number  1 and mass   1.00783
 Atom     8 has atomic number  1 and mass   1.00783
 Atom     9 has atomic number  1 and mass   1.00783
 Atom    10 has atomic number  6 and mass  12.00000
 Atom    11 has atomic number  6 and mass  12.00000
 Atom    12 has atomic number  6 and mass  12.00000
 Atom    13 has atomic number  6 and mass  12.00000
 Atom    14 has atomic number  6 and mass  12.00000
 Atom    15 has atomic number  1 and mass   1.00783
 Atom    16 has atomic number  1 and mass   1.00783
 Atom    17 has atomic number  1 and mass   1.00783
 Atom    18 has atomic number  1 and mass   1.00783
 Atom    19 has atomic number  1 and mass   1.00783
 Molecular mass:   122.07317 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --   520.958741552.451131940.40871
           X            0.99974   0.02097  -0.00937
           Y           -0.02084   0.99969   0.01351
           Z            0.00965  -0.01331   0.99986
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.16626     0.05579     0.04464
 Rotational constants (GHZ):           3.46427     1.16251     0.93008
 Zero-point vibrational energy     422266.0 (Joules/Mol)
                                  100.92399 (Kcal/Mol)
 Warning -- explicit consideration of  11 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:     44.73   200.80   316.97   367.78   414.19
          (Kelvin)            468.95   571.55   596.61   672.40   761.77
                              883.12   918.20  1027.40  1087.63  1124.16
                             1232.92  1313.72  1327.23  1383.19  1408.10
                             1474.67  1482.82  1514.87  1536.80  1577.94
                             1620.81  1705.04  1735.19  1753.67  1847.91
                             1911.71  1932.26  1956.25  2025.36  2032.74
                             2135.35  2148.23  2148.77  2207.19  2343.77
                             2374.07  4354.40  4371.33  4455.32  4484.19
                             4547.06  4560.80  4575.08  4593.15  4606.12
                             5439.55
 
 Zero-point correction=                           0.160833 (Hartree/Particle)
 Thermal correction to Energy=                    0.169219
 Thermal correction to Enthalpy=                  0.170163
 Thermal correction to Gibbs Free Energy=         0.127253
 Sum of electronic and zero-point Energies=           -386.115055
 Sum of electronic and thermal Energies=              -386.106669
 Sum of electronic and thermal Enthalpies=            -386.105725
 Sum of electronic and thermal Free Energies=         -386.148635
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  106.186             32.278             90.312
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             40.313
 Rotational               0.889              2.981             28.841
 Vibrational            104.409             26.316             21.158
 Vibration     1          0.594              1.983              5.759
 Vibration     2          0.615              1.914              2.810
 Vibration     3          0.647              1.810              1.957
 Vibration     4          0.666              1.753              1.691
 Vibration     5          0.685              1.696              1.486
 Vibration     6          0.710              1.624              1.280
 Vibration     7          0.764              1.476              0.973
 Vibration     8          0.778              1.438              0.910
 Vibration     9          0.825              1.322              0.745
 Vibration    10          0.884              1.185              0.588
 Vibration    11          0.973              1.003              0.427
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.293651D-58        -58.532169       -134.775299
 Total V=0       0.279020D+16         15.445635         35.564888
 Vib (Bot)       0.123522D-71        -71.908256       -165.574878
 Vib (Bot)    1  0.665870D+01          0.823390          1.895925
 Vib (Bot)    2  0.145713D+01          0.163497          0.376467
 Vib (Bot)    3  0.897731D+00         -0.046854         -0.107884
 Vib (Bot)    4  0.761462D+00         -0.118352         -0.272515
 Vib (Bot)    5  0.665051D+00         -0.177145         -0.407892
 Vib (Bot)    6  0.574685D+00         -0.240570         -0.553933
 Vib (Bot)    7  0.449581D+00         -0.347192         -0.799440
 Vib (Bot)    8  0.425172D+00         -0.371436         -0.855262
 Vib (Bot)    9  0.361728D+00         -0.441618         -1.016863
 Vib (Bot)   10  0.302216D+00         -0.519682         -1.196613
 Vib (Bot)   11  0.239811D+00         -0.620130         -1.427903
 Vib (V=0)       0.117367D+03          2.069548          4.765310
 Vib (V=0)    1  0.717745D+01          0.855970          1.970944
 Vib (V=0)    2  0.204053D+01          0.309742          0.713207
 Vib (V=0)    3  0.152758D+01          0.184004          0.423685
 Vib (V=0)    4  0.141095D+01          0.149511          0.344261
 Vib (V=0)    5  0.133204D+01          0.124518          0.286712
 Vib (V=0)    6  0.126175D+01          0.100973          0.232500
 Vib (V=0)    7  0.117240D+01          0.069076          0.159054
 Vib (V=0)    8  0.115633D+01          0.063082          0.145252
 Vib (V=0)    9  0.111713D+01          0.048103          0.110761
 Vib (V=0)   10  0.108424D+01          0.035125          0.080878
 Vib (V=0)   11  0.105454D+01          0.023061          0.053100
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.530132D+08          7.724384         17.786052
 Rotational      0.448438D+06          5.651703         13.013527
 
                                                          ROA calculations.
                                                             IR Spectrum
 
     3                3333333 33                                             11 1111111111111111111                                  
     7                2111110 00                                             66 54444433322211000009999 8 77 7 66  5 443  3222  1    
     8                0987619 32                                             52 39981064281082965327621 5 85 1 31  2 619  2852  4  3 
     1                1200077 86                                             09 43343803949657783159123 7 16 4 84  9 757  6860  0  1 
 
     X                XXXXXXX XX                                             XX XXXXXXXXXXXXXXXXXXXXXXX X XX X XX  X XXX  XXXX  X  X 
     X                 XX  XX XX                                                XX XX   X X  XXXXX    X   XX X     X       X         
     X                 XX  XX X                                                     X     X  XX XX        XX X     X       X         
                           XX                                                       X        XX XX           X             X         
                            X                                                       X        XX  X           X             X         
                                                                                    X                        X             X         
                                                                                    X                                      X         
                                                                                                                           X         
                                                                                                                           X         
                                                                                                                           X         
                                                                                                                           X         
                                                                                                                           X         
                                                                                                                           X         
                                                                                                                           X         
                                                                                                                           X         
                                                                                                                           X         
                                                                                                                           X         
                                                                                                                           X         
                                                                                                                           X         
                                                                                                                           X         
 
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        8          -0.000003977    0.000004629   -0.000001523
      2        6           0.000011934   -0.000010061   -0.000005846
      3        1           0.000000818   -0.000001981    0.000000317
      4        1          -0.000003004    0.000000651    0.000000631
      5        6          -0.000002483   -0.000000322    0.000005709
      6        6          -0.000002629    0.000003240    0.000004686
      7        1           0.000000722    0.000000557   -0.000001050
      8        1           0.000003061    0.000000745   -0.000000752
      9        1           0.000000724    0.000000788    0.000000622
     10        6           0.000012685    0.000005202    0.000005888
     11        6          -0.000013367    0.000002205   -0.000001977
     12        6          -0.000000073   -0.000012869   -0.000002348
     13        6           0.000010194    0.000006624    0.000002206
     14        6          -0.000013060    0.000004238   -0.000000216
     15        1          -0.000000491   -0.000002145   -0.000004862
     16        1           0.000002634   -0.000000488   -0.000000521
     17        1           0.000000174    0.000002285   -0.000000152
     18        1          -0.000002035   -0.000000934   -0.000000282
     19        1          -0.000001829   -0.000002364   -0.000000529
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000013367 RMS     0.000004960
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.128801D+03  0.146082D+01  0.197379D+01
      2   0.146082D+01  0.107479D+03  0.527271D+01
      3   0.197379D+01  0.527271D+01  0.718155D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1  -0.641650D+00  0.486836D+00  0.714743D+01
      2   0.984808D+01  0.888601D+01  0.763436D+00
      3  -0.658469D+01 -0.413442D+02 -0.850869D+01
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1   0.982494D+02  0.539630D+01  0.696751D+01
      2  -0.445539D+02 -0.143268D+02 -0.129961D+02
      3  -0.536954D+02  0.893054D+01  0.602854D+01
      4  -0.274234D+02  0.737357D+02  0.211509D+02
      5   0.277440D+02  0.225921D+02 -0.233465D+01
      6   0.817180D+01  0.108286D+02 -0.155378D+02
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    57 ND12= 1 LenFil=    2055:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.192228D+01  0.229784D+01 -0.765747D+00  0.139683D+01 -0.235690D+01
      2   0.229784D+01 -0.135241D+01  0.102381D+01 -0.235690D+01  0.252893D+01
      3  -0.765747D+00  0.102381D+01  0.150390D+00  0.134404D+01 -0.228466D+01
                 6             7             8             9            10 
      1   0.134404D+01 -0.169327D+01  0.144579D+01 -0.415694D+00  0.389451D+01
      2  -0.228466D+01  0.144579D+01 -0.277152D+01 -0.775266D+00  0.171742D+01
      3  -0.175060D+01 -0.415694D+00 -0.775266D+00 -0.469549D+01 -0.470176D-01
                11            12            13            14            15 
      1   0.171742D+01 -0.470176D-01  0.625865D+01  0.406142D+01 -0.147969D+01
      2   0.186547D+01 -0.116863D+01  0.406142D+01  0.211747D-01  0.578135D+00
      3  -0.116863D+01  0.126154D+01 -0.147969D+01  0.578135D+00  0.451856D+01
                16            17            18            19            20 
      1  -0.461276D+00 -0.157174D+01  0.389891D+01 -0.657083D+00  0.454660D+00
      2  -0.157174D+01 -0.555681D+00  0.340150D+01  0.454660D+00 -0.529760D+00
      3   0.389891D+01  0.340150D+01  0.502980D+01  0.359300D+00 -0.240324D+00
                21            22            23            24            25 
      1   0.359300D+00  0.116513D+01 -0.846925D+00 -0.486612D+00  0.201722D+01
      2  -0.240324D+00 -0.846925D+00  0.233044D+01  0.112445D+01 -0.111708D+01
      3  -0.521941D+00 -0.486612D+00  0.112445D+01  0.169424D+01 -0.127333D+01
                26            27            28            29            30 
      1  -0.111708D+01 -0.127333D+01 -0.202570D+01 -0.722206D+00 -0.164855D+01
      2   0.280512D+01  0.218688D+01 -0.722206D+00 -0.589510D+00 -0.196353D+00
      3   0.218688D+01  0.438430D+01 -0.164855D+01 -0.196353D+00 -0.143928D+01
                31            32            33            34            35 
      1  -0.269397D+01 -0.160634D+01 -0.592124D+00 -0.412348D+01 -0.580456D+00
      2  -0.160634D+01 -0.120690D+01 -0.140633D+01 -0.580456D+00 -0.151289D+01
      3  -0.592124D+00 -0.140633D+01 -0.232866D+01 -0.287912D+01 -0.182034D+01
                36            37            38            39            40 
      1  -0.287912D+01  0.814507D+01  0.691437D+00  0.170722D+01 -0.281729D+01
      2  -0.182034D+01  0.691437D+00 -0.295327D+01  0.923942D+00 -0.361857D+01
      3  -0.734569D+01  0.170722D+01  0.923942D+00 -0.180835D+01  0.161869D+01
                41            42            43            44            45 
      1  -0.361857D+01  0.161869D+01  0.521708D+01  0.223088D+01 -0.214433D+01
      2   0.286304D+01  0.501928D+00  0.223088D+01  0.105159D+01 -0.305466D+01
      3   0.501928D+00 -0.338135D+01 -0.214433D+01 -0.305466D+01 -0.435594D+01
                46            47            48            49            50 
      1  -0.164599D+02 -0.241911D+01 -0.555010D+00 -0.324014D+01  0.208386D+01
      2  -0.241911D+01 -0.276863D+01 -0.115161D+00  0.208386D+01 -0.183998D+00
      3  -0.555010D+00 -0.115161D+00 -0.202828D+01  0.111136D+01  0.522060D-01
                51            52            53            54            55 
      1   0.111136D+01 -0.598038D+00  0.927427D+00 -0.373769D+01 -0.371636D+00
      2   0.522060D-01  0.927427D+00 -0.708486D-01 -0.542757D+00  0.172316D+00
      3  -0.441115D+00 -0.373769D+01 -0.542757D+00 -0.153200D+01  0.558675D+00
                56            57            58            59            60 
      1   0.172316D+00  0.558675D+00  0.104140D+01  0.185311D+00 -0.527638D+00
      2   0.609157D+00 -0.106796D+00  0.185311D+00  0.521493D+00  0.997747D+00
      3  -0.106796D+00  0.108945D+01 -0.527638D+00  0.997747D+00  0.230742D+01
                61            62            63            64            65 
      1   0.125208D+01  0.849163D-01 -0.636152D+00  0.539355D+00 -0.790787D+00
      2   0.849163D-01  0.144890D+01  0.708293D+00 -0.790787D+00  0.167352D+01
      3  -0.636152D+00  0.708293D+00  0.712151D+01 -0.272448D+00 -0.369563D+00
                66            67            68            69            70 
      1  -0.272448D+00 -0.186608D+01  0.482700D+00  0.129718D+00 -0.569458D+00
      2  -0.369563D+00  0.482700D+00 -0.729438D+01  0.628518D+00 -0.282895D+00
      3   0.605083D+00  0.129718D+00  0.628518D+00 -0.111120D+01  0.201459D+00
                71            72            73            74            75 
      1  -0.282895D+00  0.201459D+00 -0.134426D+02 -0.228155D+01  0.113723D+00
      2   0.205021D+00 -0.634524D+00 -0.228155D+01 -0.140250D+01  0.140451D+00
      3  -0.634524D+00  0.592381D+00  0.113723D+00  0.140451D+00 -0.125466D+01
                76            77            78            79            80 
      1  -0.537400D+00 -0.107809D+01 -0.188543D+00 -0.230901D+01 -0.488013D+00
      2  -0.107809D+01 -0.824412D+00 -0.596685D-01 -0.488013D+00 -0.558339D+00
      3  -0.188543D+00 -0.596685D-01  0.259436D+00 -0.982254D+00  0.655751D-01
                81            82            83            84            85 
      1  -0.982254D+00  0.515870D+01 -0.105473D+01  0.327271D+00  0.823229D+01
      2   0.655751D-01 -0.105473D+01 -0.370918D+01 -0.954368D+00 -0.682051D-01
      3  -0.591707D-01  0.327271D+00 -0.954368D+00 -0.218477D+01  0.253307D-01
                86            87            88            89            90 
      1  -0.682051D-01  0.253307D-01  0.267240D+01 -0.314867D+00 -0.176651D+01
      2   0.186053D+01 -0.468612D+00 -0.314867D+00 -0.120739D+01  0.355345D+01
      3  -0.468612D+00  0.201853D+01 -0.176651D+01  0.355345D+01  0.845163D+00
                91            92            93            94            95 
      1  -0.362411D+01 -0.145570D+00 -0.553617D+00  0.549510D+01  0.174525D+00
      2  -0.145570D+00  0.335995D+01 -0.236886D+00  0.174525D+00  0.146890D+01
      3  -0.553617D+00 -0.236886D+00  0.116607D+01 -0.150178D+00 -0.823590D+00
                96            97            98            99           100 
      1  -0.150178D+00  0.210925D+00 -0.954033D+00  0.219854D+01  0.643835D+01
      2  -0.823590D+00 -0.954033D+00 -0.715700D+00  0.395834D+01  0.346197D+00
      3   0.237537D+01  0.219854D+01  0.395834D+01  0.248459D+01 -0.647263D+00
               101           102           103           104           105 
      1   0.346197D+00 -0.647263D+00  0.849548D+00 -0.955771D+00 -0.119313D+01
      2   0.338968D+01  0.965035D-02 -0.955771D+00 -0.635668D-01 -0.399480D+00
      3   0.965035D-02  0.317605D+01 -0.119313D+01 -0.399480D+00 -0.103979D+00
               106           107           108           109           110 
      1  -0.354432D+00 -0.113295D+01  0.537857D+01 -0.261886D+01 -0.306392D+00
      2  -0.113295D+01  0.357518D+00  0.573964D-01 -0.306392D+00  0.306792D+01
      3   0.537857D+01  0.573964D-01  0.132440D+01 -0.506527D+00  0.905834D+00
               111           112           113           114           115 
      1  -0.506527D+00 -0.607199D+01 -0.247631D+00 -0.802920D+00 -0.205030D+01
      2   0.905834D+00 -0.247631D+00 -0.117472D+01  0.103337D+01 -0.145431D+00
      3   0.176532D+01 -0.802920D+00  0.103337D+01 -0.244437D+01  0.285568D+01
               116           117           118           119           120 
      1  -0.145431D+00  0.285568D+01  0.391364D+01  0.192165D+01  0.626235D+00
      2   0.147023D+01 -0.347156D+01  0.192165D+01 -0.337258D+01  0.735569D-01
      3  -0.347156D+01 -0.117548D+01  0.626235D+00  0.735569D-01 -0.143678D+01
               121           122           123           124           125 
      1  -0.678754D+01 -0.959038D+00  0.207354D+00 -0.153793D+00  0.894153D+00
      2  -0.959038D+00 -0.171316D+01  0.879364D+00  0.894153D+00  0.449739D+00
      3   0.207354D+00  0.879364D+00 -0.154714D+01 -0.941830D+00 -0.335767D+01
               126           127           128           129           130 
      1  -0.941830D+00 -0.454505D+01  0.223823D+01  0.540705D-01  0.186015D+01
      2  -0.335767D+01  0.223823D+01 -0.255769D+01 -0.495304D-01 -0.271782D+01
      3  -0.241205D+01  0.540705D-01 -0.495304D-01 -0.148173D+00 -0.219202D+00
               131           132           133           134           135 
      1  -0.271782D+01 -0.219202D+00 -0.522775D+00  0.225668D-01  0.111796D+00
      2   0.688132D+01  0.438796D+00  0.225668D-01  0.453820D+00  0.294451D-01
      3   0.438796D+00  0.699552D+00  0.111796D+00  0.294451D-01 -0.569260D-01
               136           137           138           139           140 
      1   0.278282D+01  0.290557D+01  0.718332D+00  0.265527D+01  0.400362D+01
      2   0.290557D+01  0.314280D+01  0.737794D+00  0.400362D+01  0.850434D+01
      3   0.718332D+00  0.737794D+00  0.565266D+00  0.818179D+00  0.161866D+01
               141           142           143           144           145 
      1   0.818179D+00  0.724391D+00  0.990111D+00  0.230525D+00  0.128606D+02
      2   0.161866D+01  0.990111D+00  0.177497D+01  0.272365D+00  0.368405D+00
      3   0.107353D+01  0.230525D+00  0.272365D+00  0.186617D+00  0.131984D+01
               146           147           148           149           150 
      1   0.368405D+00  0.131984D+01  0.272249D+00  0.151012D+01  0.336797D+00
      2   0.741314D+00  0.212707D-01  0.151012D+01  0.137871D+00  0.161946D+00
      3   0.212707D-01  0.951267D+00  0.336797D+00  0.161946D+00  0.960493D-01
               151           152           153           154           155 
      1   0.159954D+01  0.360483D+00  0.141879D-01  0.390017D+01 -0.346548D+01
      2   0.360483D+00  0.964439D-01  0.214590D-01 -0.346548D+01  0.350179D+01
      3   0.141879D-01  0.214590D-01  0.128047D+00 -0.311707D+00  0.255933D+00
               156           157           158           159           160 
      1  -0.311707D+00 -0.330942D+01  0.437683D+01  0.601268D+00 -0.174233D+00
      2   0.255933D+00  0.437683D+01 -0.740426D+01 -0.869745D+00  0.391215D+00
      3   0.473912D+00  0.601268D+00 -0.869745D+00 -0.801090D+00  0.172927D-01
               161           162           163           164           165 
      1   0.391215D+00  0.172927D-01 -0.196596D+01 -0.192789D+01 -0.476782D+00
      2  -0.984055D+00 -0.122701D+00 -0.192789D+01 -0.211608D+01 -0.654630D+00
      3  -0.122701D+00 -0.110462D+00 -0.476782D+00 -0.654630D+00 -0.382113D+00
               166           167           168           169           170 
      1  -0.190277D+01 -0.242309D+01 -0.552689D+00 -0.683571D+00 -0.760089D+00
      2  -0.242309D+01 -0.725264D+01 -0.170303D+01 -0.760089D+00 -0.173693D+01
      3  -0.552689D+00 -0.170303D+01 -0.113318D+01 -0.130056D+00 -0.475228D+00
               171 
      1  -0.130056D+00
      2  -0.475228D+00
      3  -0.353621D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.347916D+00 -0.266421D+00  0.754867D+00  0.291315D-01 -0.144924D+00
      2  -0.518418D+00 -0.241506D+00  0.457368D+01 -0.103571D+01  0.408784D+01
      3   0.614661D+01 -0.932949D+01  0.101981D+01  0.216245D+01  0.717228D+01
                 6             7             8             9            10 
      1  -0.737077D+00 -0.428398D+01  0.645286D+01  0.822706D+01 -0.222427D+01
      2   0.326514D+01 -0.976200D+00  0.406758D+01  0.113935D+02  0.123715D+01
      3  -0.552924D+01  0.363932D+00 -0.632872D+01 -0.257196D+01  0.691945D+01
                11            12            13            14            15 
      1  -0.155033D+00  0.989034D+00 -0.131567D+01 -0.201841D+00  0.353365D+00
      2   0.177764D+01 -0.180702D+01  0.452635D+01  0.111853D+01 -0.709258D+01
      3   0.285159D+01 -0.490393D+00  0.134121D+02 -0.676513D+01  0.120974D+01
                16            17            18            19            20 
      1   0.427965D+01  0.509064D+01 -0.906580D+00 -0.496923D+00  0.406222D+00
      2  -0.149909D+02 -0.743787D+01 -0.776492D+01 -0.203449D+01  0.808002D+00
      3  -0.836911D+00 -0.165530D+01  0.655637D+01  0.222311D+01 -0.331331D+00
                21            22            23            24            25 
      1   0.557800D+00  0.102374D+01 -0.295508D+01 -0.389079D+01  0.301342D+01
      2   0.115378D+01  0.797107D+00 -0.329378D+01 -0.455145D+01  0.825614D+00
      3  -0.193141D-01  0.411880D+00  0.480252D+01  0.285216D+01  0.141006D+00
                26            27            28            29            30 
      1  -0.294906D+01 -0.897200D+01 -0.639777D+00  0.113554D+01 -0.615167D+00
      2  -0.615359D+01 -0.112688D+02  0.159618D+01  0.346709D+00  0.301040D+01
      3   0.704963D+01  0.524718D+01 -0.158563D+01 -0.347130D+01 -0.252044D+00
                31            32            33            34            35 
      1   0.115934D+01  0.750895D+00 -0.893976D+00 -0.998601D+00  0.238448D+01
      2  -0.407462D+00  0.131869D+01  0.427927D+01  0.142420D+01  0.287661D+01
      3  -0.186757D+01 -0.133516D+01 -0.300651D+01 -0.539646D-01 -0.307552D+01
                36            37            38            39            40 
      1  -0.118705D+01  0.397169D+01 -0.207344D+01 -0.255717D+01  0.547514D+00
      2   0.121325D+02 -0.115824D+02 -0.403416D+01  0.687786D+01 -0.577525D+01
      3  -0.373795D+01 -0.809895D+01 -0.134558D+02  0.198492D+00 -0.815768D+01
                41            42            43            44            45 
      1   0.666148D+01 -0.671439D+01 -0.130208D+01 -0.278704D+01 -0.696492D+01
      2  -0.131256D+00  0.794663D+01  0.212335D+01  0.757551D+01  0.125886D+02
      3   0.158579D+02  0.182159D-01  0.201743D+01 -0.611859D+00 -0.680260D+01
                46            47            48            49            50 
      1   0.975683D+00 -0.908196D+00 -0.421635D+00 -0.341209D+01 -0.169179D+01
      2   0.667577D-01 -0.187851D+01 -0.969530D+00 -0.145546D+01  0.613203D+00
      3  -0.740728D+01  0.583637D+01  0.747388D+00  0.152493D+02 -0.265854D+00
                51            52            53            54            55 
      1   0.161191D+01  0.101680D+01  0.106340D+02  0.222644D+01  0.914840D+00
      2   0.105811D+01 -0.129914D+02  0.717027D+00 -0.179860D+00 -0.183094D+01
      3   0.285482D+00 -0.413856D+00  0.217451D+01 -0.116341D+01  0.939700D+00
                56            57            58            59            60 
      1   0.107896D+01  0.976377D+00  0.143295D+00  0.245029D+01  0.207859D+01
      2  -0.600788D-01 -0.253211D+01 -0.209705D+00 -0.272649D+01 -0.572970D+01
      3   0.114303D+01 -0.713598D+00  0.123220D+01  0.110924D+01  0.266035D+01
                61            62            63            64            65 
      1  -0.426398D+00  0.524588D+01  0.938402D+01 -0.176411D+01  0.148780D+01
      2  -0.268913D+01 -0.253349D+01 -0.177882D+02 -0.277943D+00  0.120415D+01
      3  -0.106640D+01  0.401211D+01  0.272049D+01 -0.604589D+01  0.590662D+01
                66            67            68            69            70 
      1   0.160533D+01  0.135514D+01 -0.546309D+01 -0.312280D+01  0.626859D+00
      2  -0.910461D+00  0.128562D+01 -0.242375D+01  0.203879D+01 -0.145644D+01
      3   0.117347D+00  0.811333D+01 -0.202752D+02  0.125480D+01  0.779402D+00
                71            72            73            74            75 
      1   0.471184D+00  0.319269D+00 -0.475032D+00 -0.882716D+00 -0.192003D+01
      2   0.114425D+01 -0.135921D+01  0.724427D+01  0.765175D+00  0.675984D+01
      3   0.528125D+00 -0.216948D+01  0.892357D+01 -0.507440D+01  0.427635D+00
                76            77            78            79            80 
      1  -0.615733D+00 -0.622001D+00 -0.371375D+00 -0.119946D+01  0.707561D+00
      2   0.111315D+01  0.498086D+00 -0.410620D+00  0.210206D+01 -0.407041D+00
      3  -0.556940D+00 -0.185627D+01 -0.173634D+00  0.272405D+00 -0.962758D+00
                81            82            83            84            85 
      1   0.689661D-01 -0.136096D+01 -0.489458D-01  0.334755D+01 -0.897261D+00
      2   0.594144D+00  0.265485D+01 -0.189339D+00 -0.128569D+01  0.328748D+01
      3   0.155575D+01  0.826058D+01 -0.423058D+00  0.180950D+01  0.701526D+01
                86            87            88            89            90 
      1  -0.266730D-01 -0.287222D+01  0.549063D+01  0.227697D+01  0.195865D+00
      2   0.121447D+01  0.545660D+00 -0.123636D+02  0.138013D+00 -0.363181D+00
      3  -0.575349D+01  0.214468D+00  0.189802D+01 -0.515226D+00 -0.501687D+01
                91            92            93            94            95 
      1   0.135820D+01  0.583523D+00 -0.217927D+01  0.933127D+00  0.150924D+00
      2  -0.234544D+00  0.131425D+01 -0.389340D-01  0.959107D+00 -0.287944D+01
      3  -0.323869D+01 -0.104583D+02 -0.214486D+01  0.488047D+01 -0.266671D+01
                96            97            98            99           100 
      1  -0.337855D+01 -0.554057D+01  0.170294D+01 -0.132565D+01  0.147561D+00
      2   0.681705D+01 -0.751464D+01  0.976496D+01  0.371646D+01 -0.342062D+00
      3   0.174459D+01 -0.305403D+00  0.102038D+01 -0.538661D+01  0.707621D+00
               101           102           103           104           105 
      1  -0.859149D+00 -0.668544D+00 -0.123360D+01 -0.289624D+01  0.283977D+01
      2  -0.314656D+00  0.916355D+01 -0.363912D+01 -0.195298D+00 -0.650677D+00
      3  -0.766936D+01  0.322856D+00  0.119444D+02  0.355943D+01  0.200447D+01
               106           107           108           109           110 
      1  -0.875495D+00  0.112198D+02  0.250048D+01 -0.116068D+01 -0.260479D+00
      2   0.848611D+01  0.389749D+00  0.275790D+01 -0.579238D+00  0.256273D+01
      3   0.354759D+01  0.128900D+01  0.115844D+01 -0.209766D+01 -0.138527D+02
               111           112           113           114           115 
      1   0.310378D+01 -0.135480D+01  0.471415D+00 -0.281812D+01  0.665644D+01
      2   0.208639D+01 -0.740814D+00  0.320500D+01 -0.641639D+01 -0.547305D+01
      3  -0.237488D+01  0.402628D+01 -0.920786D+00 -0.227623D+01 -0.281986D+00
               116           117           118           119           120 
      1   0.266621D+01  0.105002D+01  0.182812D+00  0.116858D+01 -0.287498D+01
      2  -0.101886D+02 -0.376546D+01  0.338899D+01  0.152720D+01 -0.138785D+01
      3  -0.440424D+01  0.380774D+01  0.566521D+00 -0.739792D+00 -0.199349D+01
               121           122           123           124           125 
      1   0.144120D+01 -0.686713D+00 -0.284356D+01 -0.549820D+01  0.213298D+01
      2   0.101359D+01 -0.160092D+01 -0.135621D+01 -0.131005D+02 -0.998386D+00
      3   0.961527D+00  0.804867D+01  0.200292D+00 -0.416130D+01  0.150545D+00
               126           127           128           129           130 
      1  -0.946664D+00  0.547546D+00 -0.518488D+00  0.148476D+01  0.293990D+00
      2  -0.261151D+01  0.102803D+01 -0.429870D+00  0.300980D+00 -0.435838D+00
      3   0.578064D+01 -0.143503D+02  0.435379D+01  0.196588D+00  0.624353D+01
               131           132           133           134           135 
      1  -0.359732D-01 -0.335844D+01 -0.536141D+00  0.193647D+01  0.205661D+00
      2   0.899803D+00 -0.887911D+00 -0.157220D+01  0.376258D+00 -0.126981D+00
      3  -0.625814D+01 -0.727122D+00 -0.128154D+01  0.277879D+00  0.140703D+00
               136           137           138           139           140 
      1  -0.231723D+00 -0.208265D-01 -0.191722D+01 -0.103908D+00  0.519135D+00
      2   0.540786D+00  0.887618D+00  0.210920D+01  0.677531D+00  0.258250D+01
      3  -0.968205D+00 -0.335569D+01 -0.568343D+00 -0.184383D+01 -0.128451D+02
               141           142           143           144           145 
      1  -0.403259D+01  0.634429D+00  0.200512D+01 -0.488400D+00 -0.918013D-01
      2   0.330350D+01 -0.648045D+00 -0.245429D+00  0.501734D+00  0.186686D+01
      3  -0.222056D+01 -0.400586D+00 -0.244291D+01 -0.220322D+00  0.181571D+00
               146           147           148           149           150 
      1   0.453931D+00 -0.196080D+00  0.235044D+00 -0.385689D-02 -0.394812D+00
      2  -0.772092D-01  0.622805D+01  0.127555D+01  0.328941D+00  0.395968D+00
      3  -0.529454D+01  0.155951D+00 -0.367991D+01 -0.280620D+00 -0.394257D+00
               151           152           153           154           155 
      1   0.524310D-01  0.544492D+00 -0.378272D-02  0.265723D+00 -0.580839D+00
      2  -0.280655D+01  0.482543D-01  0.592295D+00  0.306091D+00 -0.319449D+00
      3  -0.125996D+01 -0.577372D+00 -0.257199D+00  0.106328D+01 -0.449047D+01
               156           157           158           159           160 
      1   0.204797D+01  0.223965D+00  0.171940D+00 -0.367096D+01 -0.828176D+00
      2   0.230010D+01  0.418030D+00 -0.973675D+00 -0.306586D+01 -0.863511D+00
      3  -0.566385D-01 -0.278268D+01  0.118098D+02  0.101972D+01 -0.700743D+00
               161           162           163           164           165 
      1   0.168584D+01 -0.283891D+00  0.429132D+00  0.259974D+00 -0.151737D+01
      2   0.668591D+00 -0.256424D+00 -0.154181D+01 -0.101247D+01  0.276454D+00
      3   0.190137D+01  0.179707D+00  0.712688D+01  0.411359D+01  0.982965D+00
               166           167           168           169           170 
      1   0.559452D+00  0.915862D+00 -0.369269D+01  0.452172D+00  0.231977D+01
      2  -0.165415D+01 -0.164246D+01  0.511284D+00 -0.192127D+01 -0.532854D+00
      3   0.764210D+01  0.759301D+01  0.185082D+01  0.174286D+01  0.217034D+01
               171 
      1  -0.463811D+00
      2   0.219868D+00
      3   0.179381D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.182972D+02 -0.458658D+01  0.302358D+01 -0.777095D+01  0.256103D+01
      2  -0.692640D+01 -0.108969D+01 -0.127482D+01 -0.179220D+00  0.880314D+01
      3  -0.113708D+02  0.567627D+01 -0.174876D+01  0.795017D+01 -0.113642D+02
      4  -0.143806D+02  0.184279D+02 -0.591186D+01  0.224949D+02 -0.192965D+02
      5   0.524757D+01 -0.523006D+01  0.830190D+01 -0.901512D+01  0.115864D+02
      6  -0.313303D+01  0.214337D+01 -0.272018D+01  0.367995D+01 -0.926287D+01
                 6             7             8             9            10 
      1   0.678579D+00  0.318873D+01  0.220441D+01  0.170587D+01  0.842511D+01
      2  -0.288627D+01 -0.201572D+01 -0.470409D+01 -0.686206D+01 -0.268743D+01
      3   0.220769D+01 -0.117302D+01  0.249967D+01  0.515619D+01 -0.573768D+01
      4   0.116681D+02 -0.943956D+01  0.140464D+02  0.357895D+01 -0.616078D+01
      5   0.495875D+01  0.686135D+01  0.323483D+01  0.232886D+02  0.378431D+00
      6   0.373793D+01  0.101103D+01  0.341000D+00 -0.135672D+02  0.174222D+01
                11            12            13            14            15 
      1   0.211054D+01 -0.179116D+01  0.298837D+01 -0.821089D+01  0.415800D+01
      2   0.847228D+00  0.786083D+00  0.429009D+01  0.373139D+01 -0.942454D+00
      3  -0.295777D+01  0.100508D+01 -0.727846D+01  0.447950D+01 -0.321555D+01
      4  -0.172827D+02  0.446636D+01 -0.276540D+02  0.412001D+01 -0.211022D+01
      5   0.494522D+01 -0.122501D+02  0.109034D+02 -0.221029D+01 -0.172752D+02
      6   0.269087D+01 -0.258254D+01  0.148425D+01  0.564988D+01 -0.922791D+01
                16            17            18            19            20 
      1   0.132790D+02  0.420821D+01 -0.101318D+01  0.313775D+01 -0.326388D+01
      2   0.969583D+00  0.357754D+01  0.851020D+01 -0.142730D+01  0.107263D+01
      3  -0.142486D+02 -0.778575D+01 -0.749702D+01 -0.171044D+01  0.219126D+01
      4   0.115211D+02  0.456863D+01 -0.180023D+02 -0.411714D+01  0.234791D+01
      5  -0.211821D+02 -0.165878D+02 -0.204614D+02 -0.238469D+01  0.181978D+01
      6  -0.108251D+02 -0.454875D+01 -0.382529D+01  0.149374D+01 -0.167926D+00
                21            22            23            24            25 
      1  -0.256328D+01 -0.376895D+01 -0.299896D+01 -0.145544D+01 -0.508811D+01
      2   0.590368D+00  0.362235D+00  0.566268D+01  0.313841D+01  0.229164D+01
      3   0.197292D+01  0.340671D+01 -0.266373D+01 -0.168297D+01  0.279647D+01
      4   0.248520D+01  0.603885D+01 -0.108296D+02 -0.588766D+01  0.791320D+01
      5   0.251855D+01  0.269104D+01 -0.545895D+01 -0.786926D+01  0.731119D+01
      6  -0.737245D+00 -0.160860D+01  0.477823D+01  0.693786D+01 -0.394715D+01
                26            27            28            29            30 
      1  -0.116354D+01 -0.280855D+01  0.492332D+01  0.116966D+01  0.400981D+01
      2   0.338316D+01  0.187518D+01 -0.627896D+01 -0.112915D+01 -0.446252D+01
      3  -0.221962D+01  0.933378D+00  0.135564D+01 -0.405118D-01  0.452714D+00
      4  -0.135402D+02 -0.108890D+02  0.434444D+01  0.652374D+01  0.211012D+01
      5  -0.104718D+02 -0.205581D+02  0.949601D+01  0.209852D+01  0.125620D+02
      6   0.852617D+01  0.129650D+02  0.252704D+01  0.181157D+00  0.173771D+01
                31            32            33            34            35 
      1   0.140040D+01 -0.215155D+01 -0.315228D+01  0.268104D+01 -0.281273D+01
      2  -0.266562D+01 -0.192536D+00 -0.494629D+00 -0.826969D+01 -0.229237D+01
      3   0.126522D+01  0.234409D+01  0.364691D+01  0.558865D+01  0.510510D+01
      4   0.971804D+01  0.566552D+01  0.643040D+01  0.348346D+01  0.686830D+01
      5   0.354414D+01  0.611195D+01  0.101390D+02  0.185336D+02  0.818728D+01
      6   0.248208D+01  0.460193D+01  0.891743D+01  0.508213D+01  0.650636D+01
                36            37            38            39            40 
      1  -0.101536D+02 -0.549489D+02 -0.155521D+02 -0.149265D+01 -0.686174D+01
      2  -0.140796D+02  0.230343D+02  0.146318D+02  0.383545D+01  0.624459D+01
      3   0.242332D+02  0.319146D+02  0.920271D+00 -0.234281D+01  0.617143D+00
      4   0.848246D+01 -0.161549D+02  0.130200D+02 -0.519563D+01  0.186130D+02
      5   0.315924D+02 -0.327440D+01 -0.275711D+01  0.112475D+02 -0.844587D+01
      6   0.102477D+02 -0.461752D+01 -0.643566D+01  0.433623D+01 -0.637080D+01
                41            42            43            44            45 
      1   0.205863D+02  0.227511D+01 -0.127994D+02 -0.280847D+00  0.123940D+02
      2  -0.218540D+02  0.624328D+01  0.615666D+01  0.372852D+01  0.798204D+01
      3   0.126769D+01 -0.851839D+01  0.664272D+01 -0.344768D+01 -0.203760D+02
      4  -0.716705D+01 -0.316310D+01 -0.157176D+02 -0.496710D+01  0.193591D+02
      5  -0.627384D+01  0.158048D+02  0.151491D+02  0.160755D+02  0.167908D+02
      6  -0.713835D+00  0.685264D+01  0.828755D+01  0.694357D+01 -0.181380D+01
                46            47            48            49            50 
      1  -0.191428D+02  0.321396D-01  0.171623D+00  0.110277D+01 -0.591682D+01
      2   0.631052D+01 -0.358159D+00 -0.328901D+00 -0.194335D+01  0.122644D+02
      3   0.128323D+02  0.326019D+00  0.157278D+00  0.840572D+00 -0.634759D+01
      4   0.115007D+02  0.490482D+01  0.660689D+00 -0.106108D+02 -0.191890D+01
      5  -0.797081D+00  0.134665D+00  0.509641D+00 -0.372736D+01 -0.609808D+00
      6  -0.871250D+00  0.151219D+00 -0.233319D+00 -0.206541D+01  0.264627D+01
                51            52            53            54            55 
      1   0.267754D+00 -0.727729D+01 -0.741546D+00 -0.949899D+01  0.362155D+01
      2   0.430898D+01  0.129565D+01  0.134457D+01 -0.342290D+01 -0.378906D+01
      3  -0.457674D+01  0.598164D+01 -0.603022D+00  0.129219D+02  0.167507D+00
      4  -0.121061D+01 -0.318287D+01 -0.191323D+01  0.283000D+01  0.487261D+00
      5   0.204425D+01  0.390804D+01  0.220715D+01  0.205581D+00 -0.205453D+01
      6  -0.340761D+01 -0.117735D+01  0.600501D+01 -0.264635D+01  0.263793D+00
                56            57            58            59            60 
      1   0.823999D+00 -0.586979D+01 -0.254595D+01 -0.451576D+01 -0.253908D+01
      2  -0.135102D+01  0.383317D+00  0.219139D+01  0.112819D+01 -0.552887D+01
      3   0.527021D+00  0.548647D+01  0.354567D+00  0.338757D+01  0.806795D+01
      4  -0.205466D+01 -0.412895D+00 -0.223966D+00 -0.347327D+01 -0.496147D+01
      5   0.894867D+00 -0.201203D+00  0.432695D+01 -0.369937D+01 -0.104017D+02
      6   0.175116D+01 -0.109278D+01 -0.920592D-02  0.226084D+01  0.324016D+01
                61            62            63            64            65 
      1  -0.613744D+01 -0.797674D+00 -0.161494D+02 -0.108142D+01  0.897862D+01
      2   0.455564D+01 -0.421466D+01 -0.170694D+02  0.378144D+01 -0.981370D+01
      3   0.158180D+01  0.501234D+01  0.332187D+02 -0.270003D+01  0.835080D+00
      4  -0.215977D+01 -0.761269D+01 -0.573240D+01  0.101261D+01 -0.315776D+01
      5   0.838848D+01 -0.332695D+01 -0.305587D+02  0.169985D+01 -0.258449D+00
      6   0.632511D+00  0.427604D+01 -0.697934D+01 -0.121965D+00  0.289571D+01
                66            67            68            69            70 
      1  -0.967882D+00  0.956203D+01 -0.243622D+02  0.218471D+01  0.135338D+01
      2  -0.610548D-01 -0.666012D+01  0.368097D+02 -0.119993D+01 -0.686993D+00
      3   0.102894D+01 -0.290190D+01 -0.124474D+02 -0.984779D+00 -0.666386D+00
      4   0.123839D+01  0.433701D+01  0.284983D+02 -0.256536D+01  0.205266D+01
      5  -0.196949D+01 -0.312152D+01 -0.411022D+00  0.420521D+01  0.458461D+00
      6  -0.251598D+01  0.697441D+00 -0.975393D+01  0.635659D+01 -0.138486D+01
                71            72            73            74            75 
      1   0.152498D+01 -0.505848D+01  0.838627D+02  0.105341D+02  0.202623D+01
      2  -0.341489D+00  0.229338D+01 -0.401617D+02 -0.230344D+01  0.809967D+00
      3  -0.118349D+01  0.276510D+01 -0.437010D+02 -0.823068D+01 -0.283620D+01
      4  -0.280356D+00  0.120126D+01  0.312884D+02  0.157746D+02 -0.879270D-01
      5   0.179736D+01 -0.207641D+01 -0.100060D+02 -0.182146D+01  0.112145D+02
      6   0.586227D+01 -0.930981D+00 -0.541537D+00 -0.162196D+01  0.358051D+01
                76            77            78            79            80 
      1   0.214077D+01  0.467698D+01  0.198182D+00  0.107208D+02  0.106289D+01
      2   0.125613D+01  0.463794D+00 -0.548728D+00 -0.443441D+01 -0.132353D+00
      3  -0.339690D+01 -0.514077D+01  0.350546D+00 -0.628637D+01 -0.930540D+00
      4   0.118359D+02  0.648972D+01  0.501560D+00  0.464647D+01  0.316917D+01
      5   0.416847D+00 -0.116685D+00 -0.696300D+00  0.923168D+01  0.218801D+00
      6  -0.718112D+00 -0.671009D+00  0.896874D+00  0.276922D+01  0.811820D+00
                81            82            83            84            85 
      1   0.557362D+01  0.437571D+01  0.171197D+02  0.552253D+01 -0.163892D+01
      2  -0.491879D+01 -0.508372D+01 -0.118365D+02 -0.135510D+01  0.107541D+02
      3  -0.654833D+00  0.708011D+00 -0.528326D+01 -0.416742D+01 -0.911519D+01
      4   0.102111D+01  0.763833D+01 -0.127226D+02  0.114322D+00  0.400177D+01
      5   0.594977D+00  0.211908D+01 -0.291248D-01 -0.150562D+01  0.216005D+01
      6   0.609991D+00  0.324796D+01 -0.317984D+01 -0.691319D+01  0.507218D+01
                86            87            88            89            90 
      1   0.170375D+01  0.216925D+01  0.188175D+00  0.436387D+01 -0.151670D+02
      2  -0.694295D+01 -0.220157D+01  0.255283D+01 -0.618554D+01  0.261201D+01
      3   0.523920D+01  0.323193D-01 -0.274101D+01  0.182167D+01  0.125550D+02
      4   0.143214D+02  0.177464D+01  0.702783D+00 -0.215581D+01  0.334023D+01
      5   0.160321D+01  0.573736D-01  0.410916D+01  0.345911D+01 -0.169928D+01
      6  -0.320729D+01  0.704653D+01 -0.291199D+01  0.144244D+02  0.571492D-03
                91            92            93            94            95 
      1   0.269714D+01 -0.233144D+02 -0.243301D+01  0.261057D+02  0.104128D+02
      2  -0.200498D+01  0.153086D+02  0.959206D+00 -0.246789D+02 -0.140063D+02
      3  -0.692160D+00  0.800586D+01  0.147380D+01 -0.142679D+01  0.359349D+01
      4  -0.121589D+02 -0.489781D+01 -0.506975D+01  0.840119D+01 -0.270134D+01
      5  -0.433339D+01 -0.471308D+01 -0.221417D+01 -0.553222D+00 -0.584955D+01
      6  -0.547908D+01 -0.217275D+01  0.540879D+01 -0.492150D+01 -0.901028D+01
                96            97            98            99           100 
      1   0.176983D+01  0.259821D+01 -0.337288D+01 -0.518735D+01 -0.716911D+01
      2  -0.610997D+01 -0.626160D+01 -0.446126D+01 -0.551906D+01  0.368742D+01
      3   0.434014D+01  0.366338D+01  0.783415D+01  0.107064D+02  0.348169D+01
      4  -0.560596D+01 -0.514662D+01 -0.896388D+01  0.148424D+02 -0.115130D+01
      5   0.142185D+02  0.142371D+02  0.152003D+02  0.778832D+01 -0.858085D+01
      6   0.620881D+01  0.577683D+01  0.147820D+02  0.372655D+01  0.312860D+00
               101           102           103           104           105 
      1  -0.532939D+00 -0.748739D+01  0.434932D+01 -0.219760D+02 -0.637665D+01
      2   0.530375D+00  0.382197D+01 -0.247001D+01  0.193863D+02  0.925996D+01
      3   0.256427D-02  0.366542D+01 -0.187931D+01  0.258967D+01 -0.288331D+01
      4   0.243507D+02  0.338490D+00 -0.228543D+02 -0.663910D+01 -0.370268D+01
      5   0.236281D+00  0.203115D+02 -0.105143D+02 -0.251360D+01 -0.139197D+01
      6   0.773392D+00  0.141096D+01 -0.301987D+01  0.389844D+01 -0.576458D+01
               106           107           108           109           110 
      1  -0.966664D+01 -0.680104D+01  0.139826D+02  0.267723D+01  0.237940D+02
      2   0.343052D+01  0.527581D+01 -0.181675D+02 -0.451156D+01 -0.144923D+02
      3   0.623612D+01  0.152523D+01  0.418495D+01  0.183433D+01 -0.930165D+01
      4  -0.113310D+02  0.838906D+00 -0.876997D+00  0.183732D+02  0.371291D+01
      5   0.355435D+02  0.127145D+00  0.611239D+01 -0.158095D-01  0.458960D+01
      6   0.815378D-01  0.610836D+01 -0.405773D+01  0.277154D+01 -0.274912D+01
               111           112           113           114           115 
      1   0.522332D+01 -0.261148D+02  0.699144D+01  0.164316D+01 -0.791923D+01
      2   0.342889D+00  0.255963D+02 -0.114341D+02 -0.154365D+01  0.859189D+01
      3  -0.556621D+01  0.518528D+00  0.444264D+01 -0.995149D-01 -0.672657D+00
      4   0.514728D+01  0.758641D+01  0.106273D+02  0.833546D+01  0.280962D+01
      5   0.467017D+01 -0.288182D+01  0.737116D+01 -0.134070D+02  0.186791D+02
      6  -0.730110D+01  0.639159D+01 -0.565431D+01  0.690096D+01 -0.713815D+01
               116           117           118           119           120 
      1   0.662848D+01  0.608244D+00  0.640241D+01 -0.145608D+02 -0.208265D-01
      2  -0.868538D+01 -0.712956D+01 -0.573181D+01  0.114380D+02 -0.173560D+01
      3   0.205689D+01  0.652132D+01 -0.670602D+00  0.312278D+01  0.175643D+01
      4   0.671122D+01 -0.150631D+02 -0.106457D+02 -0.191814D+02 -0.419476D+01
      5  -0.150459D+02 -0.781902D+01  0.122435D+00 -0.405372D+01 -0.477127D+01
      6   0.138223D+02 -0.523833D+00 -0.310954D+01 -0.255610D+01  0.622653D+01
               121           122           123           124           125 
      1   0.197449D+01  0.650148D+01  0.446648D+01  0.163665D+01  0.117021D+01
      2  -0.911865D+01 -0.989425D+01 -0.608457D+01 -0.401995D+01 -0.678144D+01
      3   0.714416D+01  0.339277D+01  0.161809D+01  0.238330D+01  0.561123D+01
      4   0.114902D+02 -0.129236D+02 -0.167201D+01  0.180461D+00 -0.450957D+01
      5   0.294479D+00 -0.179810D+01 -0.116207D+01  0.224624D+00 -0.521154D+01
      6  -0.482320D+01 -0.911026D+01  0.397821D+01  0.357102D+01  0.122838D+02
               126           127           128           129           130 
      1  -0.156770D+02 -0.116807D+01  0.751445D+01 -0.116023D+00  0.893372D+01
      2   0.553893D+00  0.447914D+01 -0.108197D+02 -0.114259D+00 -0.119089D+02
      3   0.151231D+02 -0.331107D+01  0.330522D+01  0.230282D+00  0.297515D+01
      4  -0.612441D+01 -0.106237D+02  0.776888D+01  0.567676D+00  0.655674D+01
      5  -0.560129D+01 -0.490118D+00  0.695214D+00  0.100127D+01  0.862362D+00
      6   0.459995D+01 -0.717082D-01  0.134383D+00 -0.158640D+01 -0.955588D+00
               131           132           133           134           135 
      1  -0.247313D+02 -0.190874D+01  0.702314D+00 -0.168384D+01 -0.438820D+00
      2   0.338742D+02  0.160756D+01 -0.954356D+00  0.238761D+01  0.122603D+01
      3  -0.914283D+01  0.301181D+00  0.252041D+00 -0.703773D+00 -0.787212D+00
      4  -0.696142D+01 -0.472116D+00 -0.424388D+00  0.123406D+00 -0.127481D+01
      5  -0.949594D+00 -0.980035D+00  0.453457D+00 -0.635134D+00 -0.308710D-01
      6   0.242685D+01  0.527589D+01 -0.344628D+00  0.122273D+01  0.284046D+00
               136           137           138           139           140 
      1   0.844664D+01  0.644150D+01  0.118399D+01  0.131025D+01 -0.966735D+01
      2   0.186657D+01  0.447084D+01  0.120795D+00  0.102934D+02  0.307222D+02
      3  -0.103132D+02 -0.109123D+02 -0.130478D+01 -0.116037D+02 -0.210548D+02
      4   0.218414D+02  0.252818D+02  0.525724D+01  0.270037D+02  0.464753D+02
      5   0.477907D+01  0.515123D+01  0.521323D+01  0.522444D+01  0.819385D+01
      6   0.355397D+01  0.414197D+01  0.316438D+01  0.502136D+01  0.104607D+02
               141           142           143           144           145 
      1  -0.194726D+01  0.112861D+01 -0.103088D+01 -0.767852D+00  0.982593D+02
      2   0.371150D+01  0.146981D+01  0.497209D+01  0.189717D+01 -0.563556D+02
      3  -0.176423D+01 -0.259843D+01 -0.394120D+01 -0.112932D+01 -0.419037D+02
      4   0.853812D+01  0.670747D+01  0.101532D+02  0.293806D+01  0.344846D+01
      5   0.571905D+01  0.208661D+01  0.239458D+01  0.183377D+01  0.126961D+02
      6   0.799982D+01  0.187082D+01  0.350653D+01  0.251377D+01 -0.189361D+01
               146           147           148           149           150 
      1   0.278236D+01  0.836723D+01  0.160567D+01  0.885264D+01  0.138087D+01
      2  -0.136867D+01 -0.578545D+01 -0.788641D+00 -0.431115D+01 -0.129288D+01
      3  -0.141368D+01 -0.258178D+01 -0.817025D+00 -0.454148D+01 -0.879898D-01
      4   0.849063D+01  0.110085D+00  0.142343D+02  0.107822D+01  0.132549D+01
      5   0.190709D+00  0.106592D+02  0.277038D+01  0.143047D+01  0.701388D+00
      6   0.588908D+00 -0.360926D-01  0.101524D+01 -0.142021D+00  0.168824D+01
               151           152           153           154           155 
      1   0.115534D+02  0.161241D+01  0.292001D+01  0.151338D+02 -0.100724D+02
      2  -0.678256D+01 -0.102687D+01 -0.173361D+01 -0.346260D+00 -0.364531D+01
      3  -0.477080D+01 -0.585540D+00 -0.118639D+01 -0.147876D+02  0.137177D+02
      4   0.283899D+01  0.119102D+01  0.561116D+00 -0.281774D+02  0.291130D+02
      5   0.241116D+01  0.368595D+00  0.202058D+01 -0.334102D+01  0.249250D+01
      6   0.280073D-01  0.585270D+00  0.414196D+00  0.107579D+01 -0.936193D+00
               156           157           158           159           160 
      1  -0.128610D+01 -0.576039D+01 -0.143665D+01 -0.971898D-02  0.551921D+00
      2   0.237339D+00 -0.874638D+01  0.231353D+02  0.115141D+01 -0.155773D+01
      3   0.104876D+01  0.145068D+02 -0.216987D+02 -0.114169D+01  0.100581D+01
      4   0.232821D+01  0.318558D+02 -0.464297D+02 -0.536931D+01  0.287359D+01
      5   0.485638D+01  0.438908D+01 -0.589693D+01 -0.516732D+01  0.140915D+01
      6  -0.271415D+01 -0.282208D+01  0.444221D+01  0.607697D+01 -0.110220D+01
               161           162           163           164           165 
      1  -0.127729D+01 -0.551046D+00 -0.501516D+01 -0.747025D+01 -0.286848D+01
      2   0.317442D+01  0.134944D+01  0.627817D+01  0.893424D+01  0.191447D+01
      3  -0.189712D+01 -0.798389D+00 -0.126301D+01 -0.146399D+01  0.954016D+00
      4  -0.490423D+01 -0.200620D+01  0.509634D+01  0.705943D+01  0.132148D+01
      5  -0.118918D+01 -0.587555D+00  0.713092D+00  0.887133D+00  0.166176D+01
      6   0.188111D+01  0.129772D+01  0.285032D+01  0.436740D+01  0.256787D+01
               166           167           168           169           170 
      1  -0.798571D+01 -0.279717D+02 -0.731790D+01 -0.200995D+01 -0.632834D+01
      2   0.101193D+02  0.359597D+02  0.644270D+01  0.235291D+01  0.746660D+01
      3  -0.213359D+01 -0.798797D+01  0.875195D+00 -0.342958D+00 -0.113827D+01
      4   0.597615D+01  0.252562D+01  0.120508D+00  0.167188D+01  0.117682D+01
      5   0.676095D+00 -0.509258D+00  0.502584D+00  0.987109D+00  0.658411D+00
      6   0.344406D+01  0.116331D+02  0.810074D+01  0.118161D+01  0.413920D+01
               171 
      1  -0.259006D+01
      2   0.272611D+01
      3  -0.136047D+00
      4   0.181451D+01
      5   0.113897D+01
      6   0.295774D+01
 Leave Link  716 at Thu Aug 12 22:55:30 2021, MaxMem=  5368709120 cpu:               0.6 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.128801D+03  0.146082D+01  0.197379D+01
      2   0.146082D+01  0.107479D+03  0.527271D+01
      3   0.197379D+01  0.527271D+01  0.718155D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1  -0.641650D+00  0.486836D+00  0.714743D+01
      2   0.984808D+01  0.888601D+01  0.763436D+00
      3  -0.658469D+01 -0.413442D+02 -0.850869D+01
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1   0.982494D+02  0.539630D+01  0.696751D+01
      2  -0.445539D+02 -0.143268D+02 -0.129961D+02
      3  -0.536954D+02  0.893054D+01  0.602854D+01
      4  -0.274234D+02  0.737357D+02  0.211509D+02
      5   0.277440D+02  0.225921D+02 -0.233465D+01
      6   0.817180D+01  0.108286D+02 -0.155378D+02
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    57 ND12= 1 LenFil=    2055:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.192228D+01  0.229784D+01 -0.765747D+00  0.139683D+01 -0.235690D+01
      2   0.229784D+01 -0.135241D+01  0.102381D+01 -0.235690D+01  0.252893D+01
      3  -0.765747D+00  0.102381D+01  0.150390D+00  0.134404D+01 -0.228466D+01
                 6             7             8             9            10 
      1   0.134404D+01 -0.169327D+01  0.144579D+01 -0.415694D+00  0.389451D+01
      2  -0.228466D+01  0.144579D+01 -0.277152D+01 -0.775266D+00  0.171742D+01
      3  -0.175060D+01 -0.415694D+00 -0.775266D+00 -0.469549D+01 -0.470176D-01
                11            12            13            14            15 
      1   0.171742D+01 -0.470176D-01  0.625865D+01  0.406142D+01 -0.147969D+01
      2   0.186547D+01 -0.116863D+01  0.406142D+01  0.211747D-01  0.578135D+00
      3  -0.116863D+01  0.126154D+01 -0.147969D+01  0.578135D+00  0.451856D+01
                16            17            18            19            20 
      1  -0.461276D+00 -0.157174D+01  0.389891D+01 -0.657083D+00  0.454660D+00
      2  -0.157174D+01 -0.555681D+00  0.340150D+01  0.454660D+00 -0.529760D+00
      3   0.389891D+01  0.340150D+01  0.502980D+01  0.359300D+00 -0.240324D+00
                21            22            23            24            25 
      1   0.359300D+00  0.116513D+01 -0.846925D+00 -0.486612D+00  0.201722D+01
      2  -0.240324D+00 -0.846925D+00  0.233044D+01  0.112445D+01 -0.111708D+01
      3  -0.521941D+00 -0.486612D+00  0.112445D+01  0.169424D+01 -0.127333D+01
                26            27            28            29            30 
      1  -0.111708D+01 -0.127333D+01 -0.202570D+01 -0.722206D+00 -0.164855D+01
      2   0.280512D+01  0.218688D+01 -0.722206D+00 -0.589510D+00 -0.196353D+00
      3   0.218688D+01  0.438430D+01 -0.164855D+01 -0.196353D+00 -0.143928D+01
                31            32            33            34            35 
      1  -0.269397D+01 -0.160634D+01 -0.592124D+00 -0.412348D+01 -0.580456D+00
      2  -0.160634D+01 -0.120690D+01 -0.140633D+01 -0.580456D+00 -0.151289D+01
      3  -0.592124D+00 -0.140633D+01 -0.232866D+01 -0.287912D+01 -0.182034D+01
                36            37            38            39            40 
      1  -0.287912D+01  0.814507D+01  0.691437D+00  0.170722D+01 -0.281729D+01
      2  -0.182034D+01  0.691437D+00 -0.295327D+01  0.923942D+00 -0.361857D+01
      3  -0.734569D+01  0.170722D+01  0.923942D+00 -0.180835D+01  0.161869D+01
                41            42            43            44            45 
      1  -0.361857D+01  0.161869D+01  0.521708D+01  0.223088D+01 -0.214433D+01
      2   0.286304D+01  0.501928D+00  0.223088D+01  0.105159D+01 -0.305466D+01
      3   0.501928D+00 -0.338135D+01 -0.214433D+01 -0.305466D+01 -0.435594D+01
                46            47            48            49            50 
      1  -0.164599D+02 -0.241911D+01 -0.555010D+00 -0.324014D+01  0.208386D+01
      2  -0.241911D+01 -0.276863D+01 -0.115161D+00  0.208386D+01 -0.183998D+00
      3  -0.555010D+00 -0.115161D+00 -0.202828D+01  0.111136D+01  0.522060D-01
                51            52            53            54            55 
      1   0.111136D+01 -0.598038D+00  0.927427D+00 -0.373769D+01 -0.371636D+00
      2   0.522060D-01  0.927427D+00 -0.708486D-01 -0.542757D+00  0.172316D+00
      3  -0.441115D+00 -0.373769D+01 -0.542757D+00 -0.153200D+01  0.558675D+00
                56            57            58            59            60 
      1   0.172316D+00  0.558675D+00  0.104140D+01  0.185311D+00 -0.527638D+00
      2   0.609157D+00 -0.106796D+00  0.185311D+00  0.521493D+00  0.997747D+00
      3  -0.106796D+00  0.108945D+01 -0.527638D+00  0.997747D+00  0.230742D+01
                61            62            63            64            65 
      1   0.125208D+01  0.849163D-01 -0.636152D+00  0.539355D+00 -0.790787D+00
      2   0.849163D-01  0.144890D+01  0.708293D+00 -0.790787D+00  0.167352D+01
      3  -0.636152D+00  0.708293D+00  0.712151D+01 -0.272448D+00 -0.369563D+00
                66            67            68            69            70 
      1  -0.272448D+00 -0.186608D+01  0.482700D+00  0.129718D+00 -0.569458D+00
      2  -0.369563D+00  0.482700D+00 -0.729438D+01  0.628518D+00 -0.282895D+00
      3   0.605083D+00  0.129718D+00  0.628518D+00 -0.111120D+01  0.201459D+00
                71            72            73            74            75 
      1  -0.282895D+00  0.201459D+00 -0.134426D+02 -0.228155D+01  0.113723D+00
      2   0.205021D+00 -0.634524D+00 -0.228155D+01 -0.140250D+01  0.140451D+00
      3  -0.634524D+00  0.592381D+00  0.113723D+00  0.140451D+00 -0.125466D+01
                76            77            78            79            80 
      1  -0.537400D+00 -0.107809D+01 -0.188543D+00 -0.230901D+01 -0.488013D+00
      2  -0.107809D+01 -0.824412D+00 -0.596685D-01 -0.488013D+00 -0.558339D+00
      3  -0.188543D+00 -0.596685D-01  0.259436D+00 -0.982254D+00  0.655751D-01
                81            82            83            84            85 
      1  -0.982254D+00  0.515870D+01 -0.105473D+01  0.327271D+00  0.823229D+01
      2   0.655751D-01 -0.105473D+01 -0.370918D+01 -0.954368D+00 -0.682051D-01
      3  -0.591707D-01  0.327271D+00 -0.954368D+00 -0.218477D+01  0.253307D-01
                86            87            88            89            90 
      1  -0.682051D-01  0.253307D-01  0.267240D+01 -0.314867D+00 -0.176651D+01
      2   0.186053D+01 -0.468612D+00 -0.314867D+00 -0.120739D+01  0.355345D+01
      3  -0.468612D+00  0.201853D+01 -0.176651D+01  0.355345D+01  0.845163D+00
                91            92            93            94            95 
      1  -0.362411D+01 -0.145570D+00 -0.553617D+00  0.549510D+01  0.174525D+00
      2  -0.145570D+00  0.335995D+01 -0.236886D+00  0.174525D+00  0.146890D+01
      3  -0.553617D+00 -0.236886D+00  0.116607D+01 -0.150178D+00 -0.823590D+00
                96            97            98            99           100 
      1  -0.150178D+00  0.210925D+00 -0.954033D+00  0.219854D+01  0.643835D+01
      2  -0.823590D+00 -0.954033D+00 -0.715700D+00  0.395834D+01  0.346197D+00
      3   0.237537D+01  0.219854D+01  0.395834D+01  0.248459D+01 -0.647263D+00
               101           102           103           104           105 
      1   0.346197D+00 -0.647263D+00  0.849548D+00 -0.955771D+00 -0.119313D+01
      2   0.338968D+01  0.965035D-02 -0.955771D+00 -0.635668D-01 -0.399480D+00
      3   0.965035D-02  0.317605D+01 -0.119313D+01 -0.399480D+00 -0.103979D+00
               106           107           108           109           110 
      1  -0.354432D+00 -0.113295D+01  0.537857D+01 -0.261886D+01 -0.306392D+00
      2  -0.113295D+01  0.357518D+00  0.573964D-01 -0.306392D+00  0.306792D+01
      3   0.537857D+01  0.573964D-01  0.132440D+01 -0.506527D+00  0.905834D+00
               111           112           113           114           115 
      1  -0.506527D+00 -0.607199D+01 -0.247631D+00 -0.802920D+00 -0.205030D+01
      2   0.905834D+00 -0.247631D+00 -0.117472D+01  0.103337D+01 -0.145431D+00
      3   0.176532D+01 -0.802920D+00  0.103337D+01 -0.244437D+01  0.285568D+01
               116           117           118           119           120 
      1  -0.145431D+00  0.285568D+01  0.391364D+01  0.192165D+01  0.626235D+00
      2   0.147023D+01 -0.347156D+01  0.192165D+01 -0.337258D+01  0.735569D-01
      3  -0.347156D+01 -0.117548D+01  0.626235D+00  0.735569D-01 -0.143678D+01
               121           122           123           124           125 
      1  -0.678754D+01 -0.959038D+00  0.207354D+00 -0.153793D+00  0.894153D+00
      2  -0.959038D+00 -0.171316D+01  0.879364D+00  0.894153D+00  0.449739D+00
      3   0.207354D+00  0.879364D+00 -0.154714D+01 -0.941830D+00 -0.335767D+01
               126           127           128           129           130 
      1  -0.941830D+00 -0.454505D+01  0.223823D+01  0.540705D-01  0.186015D+01
      2  -0.335767D+01  0.223823D+01 -0.255769D+01 -0.495304D-01 -0.271782D+01
      3  -0.241205D+01  0.540705D-01 -0.495304D-01 -0.148173D+00 -0.219202D+00
               131           132           133           134           135 
      1  -0.271782D+01 -0.219202D+00 -0.522775D+00  0.225668D-01  0.111796D+00
      2   0.688132D+01  0.438796D+00  0.225668D-01  0.453820D+00  0.294451D-01
      3   0.438796D+00  0.699552D+00  0.111796D+00  0.294451D-01 -0.569260D-01
               136           137           138           139           140 
      1   0.278282D+01  0.290557D+01  0.718332D+00  0.265527D+01  0.400362D+01
      2   0.290557D+01  0.314280D+01  0.737794D+00  0.400362D+01  0.850434D+01
      3   0.718332D+00  0.737794D+00  0.565266D+00  0.818179D+00  0.161866D+01
               141           142           143           144           145 
      1   0.818179D+00  0.724391D+00  0.990111D+00  0.230525D+00  0.128606D+02
      2   0.161866D+01  0.990111D+00  0.177497D+01  0.272365D+00  0.368405D+00
      3   0.107353D+01  0.230525D+00  0.272365D+00  0.186617D+00  0.131984D+01
               146           147           148           149           150 
      1   0.368405D+00  0.131984D+01  0.272249D+00  0.151012D+01  0.336797D+00
      2   0.741314D+00  0.212707D-01  0.151012D+01  0.137871D+00  0.161946D+00
      3   0.212707D-01  0.951267D+00  0.336797D+00  0.161946D+00  0.960493D-01
               151           152           153           154           155 
      1   0.159954D+01  0.360483D+00  0.141879D-01  0.390017D+01 -0.346548D+01
      2   0.360483D+00  0.964439D-01  0.214590D-01 -0.346548D+01  0.350179D+01
      3   0.141879D-01  0.214590D-01  0.128047D+00 -0.311707D+00  0.255933D+00
               156           157           158           159           160 
      1  -0.311707D+00 -0.330942D+01  0.437683D+01  0.601268D+00 -0.174233D+00
      2   0.255933D+00  0.437683D+01 -0.740426D+01 -0.869745D+00  0.391215D+00
      3   0.473912D+00  0.601268D+00 -0.869745D+00 -0.801090D+00  0.172927D-01
               161           162           163           164           165 
      1   0.391215D+00  0.172927D-01 -0.196596D+01 -0.192789D+01 -0.476782D+00
      2  -0.984055D+00 -0.122701D+00 -0.192789D+01 -0.211608D+01 -0.654630D+00
      3  -0.122701D+00 -0.110462D+00 -0.476782D+00 -0.654630D+00 -0.382113D+00
               166           167           168           169           170 
      1  -0.190277D+01 -0.242309D+01 -0.552689D+00 -0.683571D+00 -0.760089D+00
      2  -0.242309D+01 -0.725264D+01 -0.170303D+01 -0.760089D+00 -0.173693D+01
      3  -0.552689D+00 -0.170303D+01 -0.113318D+01 -0.130056D+00 -0.475228D+00
               171 
      1  -0.130056D+00
      2  -0.475228D+00
      3  -0.353621D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.347916D+00 -0.266421D+00  0.754867D+00  0.291315D-01 -0.144924D+00
      2  -0.518418D+00 -0.241506D+00  0.457368D+01 -0.103571D+01  0.408784D+01
      3   0.614661D+01 -0.932949D+01  0.101981D+01  0.216245D+01  0.717228D+01
                 6             7             8             9            10 
      1  -0.737077D+00 -0.428398D+01  0.645286D+01  0.822706D+01 -0.222427D+01
      2   0.326514D+01 -0.976200D+00  0.406758D+01  0.113935D+02  0.123715D+01
      3  -0.552924D+01  0.363932D+00 -0.632872D+01 -0.257196D+01  0.691945D+01
                11            12            13            14            15 
      1  -0.155033D+00  0.989034D+00 -0.131567D+01 -0.201841D+00  0.353365D+00
      2   0.177764D+01 -0.180702D+01  0.452635D+01  0.111853D+01 -0.709258D+01
      3   0.285159D+01 -0.490393D+00  0.134121D+02 -0.676513D+01  0.120974D+01
                16            17            18            19            20 
      1   0.427965D+01  0.509064D+01 -0.906580D+00 -0.496923D+00  0.406222D+00
      2  -0.149909D+02 -0.743787D+01 -0.776492D+01 -0.203449D+01  0.808002D+00
      3  -0.836911D+00 -0.165530D+01  0.655637D+01  0.222311D+01 -0.331331D+00
                21            22            23            24            25 
      1   0.557800D+00  0.102374D+01 -0.295508D+01 -0.389079D+01  0.301342D+01
      2   0.115378D+01  0.797107D+00 -0.329378D+01 -0.455145D+01  0.825614D+00
      3  -0.193141D-01  0.411880D+00  0.480252D+01  0.285216D+01  0.141006D+00
                26            27            28            29            30 
      1  -0.294906D+01 -0.897200D+01 -0.639777D+00  0.113554D+01 -0.615167D+00
      2  -0.615359D+01 -0.112688D+02  0.159618D+01  0.346709D+00  0.301040D+01
      3   0.704963D+01  0.524718D+01 -0.158563D+01 -0.347130D+01 -0.252044D+00
                31            32            33            34            35 
      1   0.115934D+01  0.750895D+00 -0.893976D+00 -0.998601D+00  0.238448D+01
      2  -0.407462D+00  0.131869D+01  0.427927D+01  0.142420D+01  0.287661D+01
      3  -0.186757D+01 -0.133516D+01 -0.300651D+01 -0.539646D-01 -0.307552D+01
                36            37            38            39            40 
      1  -0.118705D+01  0.397169D+01 -0.207344D+01 -0.255717D+01  0.547514D+00
      2   0.121325D+02 -0.115824D+02 -0.403416D+01  0.687786D+01 -0.577525D+01
      3  -0.373795D+01 -0.809895D+01 -0.134558D+02  0.198492D+00 -0.815768D+01
                41            42            43            44            45 
      1   0.666148D+01 -0.671439D+01 -0.130208D+01 -0.278704D+01 -0.696492D+01
      2  -0.131256D+00  0.794663D+01  0.212335D+01  0.757551D+01  0.125886D+02
      3   0.158579D+02  0.182159D-01  0.201743D+01 -0.611859D+00 -0.680260D+01
                46            47            48            49            50 
      1   0.975683D+00 -0.908196D+00 -0.421635D+00 -0.341209D+01 -0.169179D+01
      2   0.667577D-01 -0.187851D+01 -0.969530D+00 -0.145546D+01  0.613203D+00
      3  -0.740728D+01  0.583637D+01  0.747388D+00  0.152493D+02 -0.265854D+00
                51            52            53            54            55 
      1   0.161191D+01  0.101680D+01  0.106340D+02  0.222644D+01  0.914840D+00
      2   0.105811D+01 -0.129914D+02  0.717027D+00 -0.179860D+00 -0.183094D+01
      3   0.285482D+00 -0.413856D+00  0.217451D+01 -0.116341D+01  0.939700D+00
                56            57            58            59            60 
      1   0.107896D+01  0.976377D+00  0.143295D+00  0.245029D+01  0.207859D+01
      2  -0.600788D-01 -0.253211D+01 -0.209705D+00 -0.272649D+01 -0.572970D+01
      3   0.114303D+01 -0.713598D+00  0.123220D+01  0.110924D+01  0.266035D+01
                61            62            63            64            65 
      1  -0.426398D+00  0.524588D+01  0.938402D+01 -0.176411D+01  0.148780D+01
      2  -0.268913D+01 -0.253349D+01 -0.177882D+02 -0.277943D+00  0.120415D+01
      3  -0.106640D+01  0.401211D+01  0.272049D+01 -0.604589D+01  0.590662D+01
                66            67            68            69            70 
      1   0.160533D+01  0.135514D+01 -0.546309D+01 -0.312280D+01  0.626859D+00
      2  -0.910461D+00  0.128562D+01 -0.242375D+01  0.203879D+01 -0.145644D+01
      3   0.117347D+00  0.811333D+01 -0.202752D+02  0.125480D+01  0.779402D+00
                71            72            73            74            75 
      1   0.471184D+00  0.319269D+00 -0.475032D+00 -0.882716D+00 -0.192003D+01
      2   0.114425D+01 -0.135921D+01  0.724427D+01  0.765175D+00  0.675984D+01
      3   0.528125D+00 -0.216948D+01  0.892357D+01 -0.507440D+01  0.427635D+00
                76            77            78            79            80 
      1  -0.615733D+00 -0.622001D+00 -0.371375D+00 -0.119946D+01  0.707561D+00
      2   0.111315D+01  0.498086D+00 -0.410620D+00  0.210206D+01 -0.407041D+00
      3  -0.556940D+00 -0.185627D+01 -0.173634D+00  0.272405D+00 -0.962758D+00
                81            82            83            84            85 
      1   0.689661D-01 -0.136096D+01 -0.489458D-01  0.334755D+01 -0.897261D+00
      2   0.594144D+00  0.265485D+01 -0.189339D+00 -0.128569D+01  0.328748D+01
      3   0.155575D+01  0.826058D+01 -0.423058D+00  0.180950D+01  0.701526D+01
                86            87            88            89            90 
      1  -0.266730D-01 -0.287222D+01  0.549063D+01  0.227697D+01  0.195865D+00
      2   0.121447D+01  0.545660D+00 -0.123636D+02  0.138013D+00 -0.363181D+00
      3  -0.575349D+01  0.214468D+00  0.189802D+01 -0.515226D+00 -0.501687D+01
                91            92            93            94            95 
      1   0.135820D+01  0.583523D+00 -0.217927D+01  0.933127D+00  0.150924D+00
      2  -0.234544D+00  0.131425D+01 -0.389340D-01  0.959107D+00 -0.287944D+01
      3  -0.323869D+01 -0.104583D+02 -0.214486D+01  0.488047D+01 -0.266671D+01
                96            97            98            99           100 
      1  -0.337855D+01 -0.554057D+01  0.170294D+01 -0.132565D+01  0.147561D+00
      2   0.681705D+01 -0.751464D+01  0.976496D+01  0.371646D+01 -0.342062D+00
      3   0.174459D+01 -0.305403D+00  0.102038D+01 -0.538661D+01  0.707621D+00
               101           102           103           104           105 
      1  -0.859149D+00 -0.668544D+00 -0.123360D+01 -0.289624D+01  0.283977D+01
      2  -0.314656D+00  0.916355D+01 -0.363912D+01 -0.195298D+00 -0.650677D+00
      3  -0.766936D+01  0.322856D+00  0.119444D+02  0.355943D+01  0.200447D+01
               106           107           108           109           110 
      1  -0.875495D+00  0.112198D+02  0.250048D+01 -0.116068D+01 -0.260479D+00
      2   0.848611D+01  0.389749D+00  0.275790D+01 -0.579238D+00  0.256273D+01
      3   0.354759D+01  0.128900D+01  0.115844D+01 -0.209766D+01 -0.138527D+02
               111           112           113           114           115 
      1   0.310378D+01 -0.135480D+01  0.471415D+00 -0.281812D+01  0.665644D+01
      2   0.208639D+01 -0.740814D+00  0.320500D+01 -0.641639D+01 -0.547305D+01
      3  -0.237488D+01  0.402628D+01 -0.920786D+00 -0.227623D+01 -0.281986D+00
               116           117           118           119           120 
      1   0.266621D+01  0.105002D+01  0.182812D+00  0.116858D+01 -0.287498D+01
      2  -0.101886D+02 -0.376546D+01  0.338899D+01  0.152720D+01 -0.138785D+01
      3  -0.440424D+01  0.380774D+01  0.566521D+00 -0.739792D+00 -0.199349D+01
               121           122           123           124           125 
      1   0.144120D+01 -0.686713D+00 -0.284356D+01 -0.549820D+01  0.213298D+01
      2   0.101359D+01 -0.160092D+01 -0.135621D+01 -0.131005D+02 -0.998386D+00
      3   0.961527D+00  0.804867D+01  0.200292D+00 -0.416130D+01  0.150545D+00
               126           127           128           129           130 
      1  -0.946664D+00  0.547546D+00 -0.518488D+00  0.148476D+01  0.293990D+00
      2  -0.261151D+01  0.102803D+01 -0.429870D+00  0.300980D+00 -0.435838D+00
      3   0.578064D+01 -0.143503D+02  0.435379D+01  0.196588D+00  0.624353D+01
               131           132           133           134           135 
      1  -0.359732D-01 -0.335844D+01 -0.536141D+00  0.193647D+01  0.205661D+00
      2   0.899803D+00 -0.887911D+00 -0.157220D+01  0.376258D+00 -0.126981D+00
      3  -0.625814D+01 -0.727122D+00 -0.128154D+01  0.277879D+00  0.140703D+00
               136           137           138           139           140 
      1  -0.231723D+00 -0.208265D-01 -0.191722D+01 -0.103908D+00  0.519135D+00
      2   0.540786D+00  0.887618D+00  0.210920D+01  0.677531D+00  0.258250D+01
      3  -0.968205D+00 -0.335569D+01 -0.568343D+00 -0.184383D+01 -0.128451D+02
               141           142           143           144           145 
      1  -0.403259D+01  0.634429D+00  0.200512D+01 -0.488400D+00 -0.918013D-01
      2   0.330350D+01 -0.648045D+00 -0.245429D+00  0.501734D+00  0.186686D+01
      3  -0.222056D+01 -0.400586D+00 -0.244291D+01 -0.220322D+00  0.181571D+00
               146           147           148           149           150 
      1   0.453931D+00 -0.196080D+00  0.235044D+00 -0.385689D-02 -0.394812D+00
      2  -0.772092D-01  0.622805D+01  0.127555D+01  0.328941D+00  0.395968D+00
      3  -0.529454D+01  0.155951D+00 -0.367991D+01 -0.280620D+00 -0.394257D+00
               151           152           153           154           155 
      1   0.524310D-01  0.544492D+00 -0.378272D-02  0.265723D+00 -0.580839D+00
      2  -0.280655D+01  0.482543D-01  0.592295D+00  0.306091D+00 -0.319449D+00
      3  -0.125996D+01 -0.577372D+00 -0.257199D+00  0.106328D+01 -0.449047D+01
               156           157           158           159           160 
      1   0.204797D+01  0.223965D+00  0.171940D+00 -0.367096D+01 -0.828176D+00
      2   0.230010D+01  0.418030D+00 -0.973675D+00 -0.306586D+01 -0.863511D+00
      3  -0.566385D-01 -0.278268D+01  0.118098D+02  0.101972D+01 -0.700743D+00
               161           162           163           164           165 
      1   0.168584D+01 -0.283891D+00  0.429132D+00  0.259974D+00 -0.151737D+01
      2   0.668591D+00 -0.256424D+00 -0.154181D+01 -0.101247D+01  0.276454D+00
      3   0.190137D+01  0.179707D+00  0.712688D+01  0.411359D+01  0.982965D+00
               166           167           168           169           170 
      1   0.559452D+00  0.915862D+00 -0.369269D+01  0.452172D+00  0.231977D+01
      2  -0.165415D+01 -0.164246D+01  0.511284D+00 -0.192127D+01 -0.532854D+00
      3   0.764210D+01  0.759301D+01  0.185082D+01  0.174286D+01  0.217034D+01
               171 
      1  -0.463811D+00
      2   0.219868D+00
      3   0.179381D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.182972D+02 -0.458658D+01  0.302358D+01 -0.777095D+01  0.256103D+01
      2  -0.692640D+01 -0.108969D+01 -0.127482D+01 -0.179220D+00  0.880314D+01
      3  -0.113708D+02  0.567627D+01 -0.174876D+01  0.795017D+01 -0.113642D+02
      4  -0.143806D+02  0.184279D+02 -0.591186D+01  0.224949D+02 -0.192965D+02
      5   0.524757D+01 -0.523006D+01  0.830190D+01 -0.901512D+01  0.115864D+02
      6  -0.313303D+01  0.214337D+01 -0.272018D+01  0.367995D+01 -0.926287D+01
                 6             7             8             9            10 
      1   0.678579D+00  0.318873D+01  0.220441D+01  0.170587D+01  0.842511D+01
      2  -0.288627D+01 -0.201572D+01 -0.470409D+01 -0.686206D+01 -0.268743D+01
      3   0.220769D+01 -0.117302D+01  0.249967D+01  0.515619D+01 -0.573768D+01
      4   0.116681D+02 -0.943956D+01  0.140464D+02  0.357895D+01 -0.616078D+01
      5   0.495875D+01  0.686135D+01  0.323483D+01  0.232886D+02  0.378431D+00
      6   0.373793D+01  0.101103D+01  0.341000D+00 -0.135672D+02  0.174222D+01
                11            12            13            14            15 
      1   0.211054D+01 -0.179116D+01  0.298837D+01 -0.821089D+01  0.415800D+01
      2   0.847228D+00  0.786083D+00  0.429009D+01  0.373139D+01 -0.942454D+00
      3  -0.295777D+01  0.100508D+01 -0.727846D+01  0.447950D+01 -0.321555D+01
      4  -0.172827D+02  0.446636D+01 -0.276540D+02  0.412001D+01 -0.211022D+01
      5   0.494522D+01 -0.122501D+02  0.109034D+02 -0.221029D+01 -0.172752D+02
      6   0.269087D+01 -0.258254D+01  0.148425D+01  0.564988D+01 -0.922791D+01
                16            17            18            19            20 
      1   0.132790D+02  0.420821D+01 -0.101318D+01  0.313775D+01 -0.326388D+01
      2   0.969583D+00  0.357754D+01  0.851020D+01 -0.142730D+01  0.107263D+01
      3  -0.142486D+02 -0.778575D+01 -0.749702D+01 -0.171044D+01  0.219126D+01
      4   0.115211D+02  0.456863D+01 -0.180023D+02 -0.411714D+01  0.234791D+01
      5  -0.211821D+02 -0.165878D+02 -0.204614D+02 -0.238469D+01  0.181978D+01
      6  -0.108251D+02 -0.454875D+01 -0.382529D+01  0.149374D+01 -0.167926D+00
                21            22            23            24            25 
      1  -0.256328D+01 -0.376895D+01 -0.299896D+01 -0.145544D+01 -0.508811D+01
      2   0.590368D+00  0.362235D+00  0.566268D+01  0.313841D+01  0.229164D+01
      3   0.197292D+01  0.340671D+01 -0.266373D+01 -0.168297D+01  0.279647D+01
      4   0.248520D+01  0.603885D+01 -0.108296D+02 -0.588766D+01  0.791320D+01
      5   0.251855D+01  0.269104D+01 -0.545895D+01 -0.786926D+01  0.731119D+01
      6  -0.737245D+00 -0.160860D+01  0.477823D+01  0.693786D+01 -0.394715D+01
                26            27            28            29            30 
      1  -0.116354D+01 -0.280855D+01  0.492332D+01  0.116966D+01  0.400981D+01
      2   0.338316D+01  0.187518D+01 -0.627896D+01 -0.112915D+01 -0.446252D+01
      3  -0.221962D+01  0.933378D+00  0.135564D+01 -0.405118D-01  0.452714D+00
      4  -0.135402D+02 -0.108890D+02  0.434444D+01  0.652374D+01  0.211012D+01
      5  -0.104718D+02 -0.205581D+02  0.949601D+01  0.209852D+01  0.125620D+02
      6   0.852617D+01  0.129650D+02  0.252704D+01  0.181157D+00  0.173771D+01
                31            32            33            34            35 
      1   0.140040D+01 -0.215155D+01 -0.315228D+01  0.268104D+01 -0.281273D+01
      2  -0.266562D+01 -0.192536D+00 -0.494629D+00 -0.826969D+01 -0.229237D+01
      3   0.126522D+01  0.234409D+01  0.364691D+01  0.558865D+01  0.510510D+01
      4   0.971804D+01  0.566552D+01  0.643040D+01  0.348346D+01  0.686830D+01
      5   0.354414D+01  0.611195D+01  0.101390D+02  0.185336D+02  0.818728D+01
      6   0.248208D+01  0.460193D+01  0.891743D+01  0.508213D+01  0.650636D+01
                36            37            38            39            40 
      1  -0.101536D+02 -0.549489D+02 -0.155521D+02 -0.149265D+01 -0.686174D+01
      2  -0.140796D+02  0.230343D+02  0.146318D+02  0.383545D+01  0.624459D+01
      3   0.242332D+02  0.319146D+02  0.920271D+00 -0.234281D+01  0.617143D+00
      4   0.848246D+01 -0.161549D+02  0.130200D+02 -0.519563D+01  0.186130D+02
      5   0.315924D+02 -0.327440D+01 -0.275711D+01  0.112475D+02 -0.844587D+01
      6   0.102477D+02 -0.461752D+01 -0.643566D+01  0.433623D+01 -0.637080D+01
                41            42            43            44            45 
      1   0.205863D+02  0.227511D+01 -0.127994D+02 -0.280847D+00  0.123940D+02
      2  -0.218540D+02  0.624328D+01  0.615666D+01  0.372852D+01  0.798204D+01
      3   0.126769D+01 -0.851839D+01  0.664272D+01 -0.344768D+01 -0.203760D+02
      4  -0.716705D+01 -0.316310D+01 -0.157176D+02 -0.496710D+01  0.193591D+02
      5  -0.627384D+01  0.158048D+02  0.151491D+02  0.160755D+02  0.167908D+02
      6  -0.713835D+00  0.685264D+01  0.828755D+01  0.694357D+01 -0.181380D+01
                46            47            48            49            50 
      1  -0.191428D+02  0.321396D-01  0.171623D+00  0.110277D+01 -0.591682D+01
      2   0.631052D+01 -0.358159D+00 -0.328901D+00 -0.194335D+01  0.122644D+02
      3   0.128323D+02  0.326019D+00  0.157278D+00  0.840572D+00 -0.634759D+01
      4   0.115007D+02  0.490482D+01  0.660689D+00 -0.106108D+02 -0.191890D+01
      5  -0.797081D+00  0.134665D+00  0.509641D+00 -0.372736D+01 -0.609808D+00
      6  -0.871250D+00  0.151219D+00 -0.233319D+00 -0.206541D+01  0.264627D+01
                51            52            53            54            55 
      1   0.267754D+00 -0.727729D+01 -0.741546D+00 -0.949899D+01  0.362155D+01
      2   0.430898D+01  0.129565D+01  0.134457D+01 -0.342290D+01 -0.378906D+01
      3  -0.457674D+01  0.598164D+01 -0.603022D+00  0.129219D+02  0.167507D+00
      4  -0.121061D+01 -0.318287D+01 -0.191323D+01  0.283000D+01  0.487261D+00
      5   0.204425D+01  0.390804D+01  0.220715D+01  0.205581D+00 -0.205453D+01
      6  -0.340761D+01 -0.117735D+01  0.600501D+01 -0.264635D+01  0.263793D+00
                56            57            58            59            60 
      1   0.823999D+00 -0.586979D+01 -0.254595D+01 -0.451576D+01 -0.253908D+01
      2  -0.135102D+01  0.383317D+00  0.219139D+01  0.112819D+01 -0.552887D+01
      3   0.527021D+00  0.548647D+01  0.354567D+00  0.338757D+01  0.806795D+01
      4  -0.205466D+01 -0.412895D+00 -0.223966D+00 -0.347327D+01 -0.496147D+01
      5   0.894867D+00 -0.201203D+00  0.432695D+01 -0.369937D+01 -0.104017D+02
      6   0.175116D+01 -0.109278D+01 -0.920592D-02  0.226084D+01  0.324016D+01
                61            62            63            64            65 
      1  -0.613744D+01 -0.797674D+00 -0.161494D+02 -0.108142D+01  0.897862D+01
      2   0.455564D+01 -0.421466D+01 -0.170694D+02  0.378144D+01 -0.981370D+01
      3   0.158180D+01  0.501234D+01  0.332187D+02 -0.270003D+01  0.835080D+00
      4  -0.215977D+01 -0.761269D+01 -0.573240D+01  0.101261D+01 -0.315776D+01
      5   0.838848D+01 -0.332695D+01 -0.305587D+02  0.169985D+01 -0.258449D+00
      6   0.632511D+00  0.427604D+01 -0.697934D+01 -0.121965D+00  0.289571D+01
                66            67            68            69            70 
      1  -0.967882D+00  0.956203D+01 -0.243622D+02  0.218471D+01  0.135338D+01
      2  -0.610548D-01 -0.666012D+01  0.368097D+02 -0.119993D+01 -0.686993D+00
      3   0.102894D+01 -0.290190D+01 -0.124474D+02 -0.984779D+00 -0.666386D+00
      4   0.123839D+01  0.433701D+01  0.284983D+02 -0.256536D+01  0.205266D+01
      5  -0.196949D+01 -0.312152D+01 -0.411022D+00  0.420521D+01  0.458461D+00
      6  -0.251598D+01  0.697441D+00 -0.975393D+01  0.635659D+01 -0.138486D+01
                71            72            73            74            75 
      1   0.152498D+01 -0.505848D+01  0.838627D+02  0.105341D+02  0.202623D+01
      2  -0.341489D+00  0.229338D+01 -0.401617D+02 -0.230344D+01  0.809967D+00
      3  -0.118349D+01  0.276510D+01 -0.437010D+02 -0.823068D+01 -0.283620D+01
      4  -0.280356D+00  0.120126D+01  0.312884D+02  0.157746D+02 -0.879270D-01
      5   0.179736D+01 -0.207641D+01 -0.100060D+02 -0.182146D+01  0.112145D+02
      6   0.586227D+01 -0.930981D+00 -0.541537D+00 -0.162196D+01  0.358051D+01
                76            77            78            79            80 
      1   0.214077D+01  0.467698D+01  0.198182D+00  0.107208D+02  0.106289D+01
      2   0.125613D+01  0.463794D+00 -0.548728D+00 -0.443441D+01 -0.132353D+00
      3  -0.339690D+01 -0.514077D+01  0.350546D+00 -0.628637D+01 -0.930540D+00
      4   0.118359D+02  0.648972D+01  0.501560D+00  0.464647D+01  0.316917D+01
      5   0.416847D+00 -0.116685D+00 -0.696300D+00  0.923168D+01  0.218801D+00
      6  -0.718112D+00 -0.671009D+00  0.896874D+00  0.276922D+01  0.811820D+00
                81            82            83            84            85 
      1   0.557362D+01  0.437571D+01  0.171197D+02  0.552253D+01 -0.163892D+01
      2  -0.491879D+01 -0.508372D+01 -0.118365D+02 -0.135510D+01  0.107541D+02
      3  -0.654833D+00  0.708011D+00 -0.528326D+01 -0.416742D+01 -0.911519D+01
      4   0.102111D+01  0.763833D+01 -0.127226D+02  0.114322D+00  0.400177D+01
      5   0.594977D+00  0.211908D+01 -0.291248D-01 -0.150562D+01  0.216005D+01
      6   0.609991D+00  0.324796D+01 -0.317984D+01 -0.691319D+01  0.507218D+01
                86            87            88            89            90 
      1   0.170375D+01  0.216925D+01  0.188175D+00  0.436387D+01 -0.151670D+02
      2  -0.694295D+01 -0.220157D+01  0.255283D+01 -0.618554D+01  0.261201D+01
      3   0.523920D+01  0.323193D-01 -0.274101D+01  0.182167D+01  0.125550D+02
      4   0.143214D+02  0.177464D+01  0.702783D+00 -0.215581D+01  0.334023D+01
      5   0.160321D+01  0.573736D-01  0.410916D+01  0.345911D+01 -0.169928D+01
      6  -0.320729D+01  0.704653D+01 -0.291199D+01  0.144244D+02  0.571492D-03
                91            92            93            94            95 
      1   0.269714D+01 -0.233144D+02 -0.243301D+01  0.261057D+02  0.104128D+02
      2  -0.200498D+01  0.153086D+02  0.959206D+00 -0.246789D+02 -0.140063D+02
      3  -0.692160D+00  0.800586D+01  0.147380D+01 -0.142679D+01  0.359349D+01
      4  -0.121589D+02 -0.489781D+01 -0.506975D+01  0.840119D+01 -0.270134D+01
      5  -0.433339D+01 -0.471308D+01 -0.221417D+01 -0.553222D+00 -0.584955D+01
      6  -0.547908D+01 -0.217275D+01  0.540879D+01 -0.492150D+01 -0.901028D+01
                96            97            98            99           100 
      1   0.176983D+01  0.259821D+01 -0.337288D+01 -0.518735D+01 -0.716911D+01
      2  -0.610997D+01 -0.626160D+01 -0.446126D+01 -0.551906D+01  0.368742D+01
      3   0.434014D+01  0.366338D+01  0.783415D+01  0.107064D+02  0.348169D+01
      4  -0.560596D+01 -0.514662D+01 -0.896388D+01  0.148424D+02 -0.115130D+01
      5   0.142185D+02  0.142371D+02  0.152003D+02  0.778832D+01 -0.858085D+01
      6   0.620881D+01  0.577683D+01  0.147820D+02  0.372655D+01  0.312860D+00
               101           102           103           104           105 
      1  -0.532939D+00 -0.748739D+01  0.434932D+01 -0.219760D+02 -0.637665D+01
      2   0.530375D+00  0.382197D+01 -0.247001D+01  0.193863D+02  0.925996D+01
      3   0.256427D-02  0.366542D+01 -0.187931D+01  0.258967D+01 -0.288331D+01
      4   0.243507D+02  0.338490D+00 -0.228543D+02 -0.663910D+01 -0.370268D+01
      5   0.236281D+00  0.203115D+02 -0.105143D+02 -0.251360D+01 -0.139197D+01
      6   0.773392D+00  0.141096D+01 -0.301987D+01  0.389844D+01 -0.576458D+01
               106           107           108           109           110 
      1  -0.966664D+01 -0.680104D+01  0.139826D+02  0.267723D+01  0.237940D+02
      2   0.343052D+01  0.527581D+01 -0.181675D+02 -0.451156D+01 -0.144923D+02
      3   0.623612D+01  0.152523D+01  0.418495D+01  0.183433D+01 -0.930165D+01
      4  -0.113310D+02  0.838906D+00 -0.876997D+00  0.183732D+02  0.371291D+01
      5   0.355435D+02  0.127145D+00  0.611239D+01 -0.158095D-01  0.458960D+01
      6   0.815378D-01  0.610836D+01 -0.405773D+01  0.277154D+01 -0.274912D+01
               111           112           113           114           115 
      1   0.522332D+01 -0.261148D+02  0.699144D+01  0.164316D+01 -0.791923D+01
      2   0.342889D+00  0.255963D+02 -0.114341D+02 -0.154365D+01  0.859189D+01
      3  -0.556621D+01  0.518528D+00  0.444264D+01 -0.995149D-01 -0.672657D+00
      4   0.514728D+01  0.758641D+01  0.106273D+02  0.833546D+01  0.280962D+01
      5   0.467017D+01 -0.288182D+01  0.737116D+01 -0.134070D+02  0.186791D+02
      6  -0.730110D+01  0.639159D+01 -0.565431D+01  0.690096D+01 -0.713815D+01
               116           117           118           119           120 
      1   0.662848D+01  0.608244D+00  0.640241D+01 -0.145608D+02 -0.208265D-01
      2  -0.868538D+01 -0.712956D+01 -0.573181D+01  0.114380D+02 -0.173560D+01
      3   0.205689D+01  0.652132D+01 -0.670602D+00  0.312278D+01  0.175643D+01
      4   0.671122D+01 -0.150631D+02 -0.106457D+02 -0.191814D+02 -0.419476D+01
      5  -0.150459D+02 -0.781902D+01  0.122435D+00 -0.405372D+01 -0.477127D+01
      6   0.138223D+02 -0.523833D+00 -0.310954D+01 -0.255610D+01  0.622653D+01
               121           122           123           124           125 
      1   0.197449D+01  0.650148D+01  0.446648D+01  0.163665D+01  0.117021D+01
      2  -0.911865D+01 -0.989425D+01 -0.608457D+01 -0.401995D+01 -0.678144D+01
      3   0.714416D+01  0.339277D+01  0.161809D+01  0.238330D+01  0.561123D+01
      4   0.114902D+02 -0.129236D+02 -0.167201D+01  0.180461D+00 -0.450957D+01
      5   0.294479D+00 -0.179810D+01 -0.116207D+01  0.224624D+00 -0.521154D+01
      6  -0.482320D+01 -0.911026D+01  0.397821D+01  0.357102D+01  0.122838D+02
               126           127           128           129           130 
      1  -0.156770D+02 -0.116807D+01  0.751445D+01 -0.116023D+00  0.893372D+01
      2   0.553893D+00  0.447914D+01 -0.108197D+02 -0.114259D+00 -0.119089D+02
      3   0.151231D+02 -0.331107D+01  0.330522D+01  0.230282D+00  0.297515D+01
      4  -0.612441D+01 -0.106237D+02  0.776888D+01  0.567676D+00  0.655674D+01
      5  -0.560129D+01 -0.490118D+00  0.695214D+00  0.100127D+01  0.862362D+00
      6   0.459995D+01 -0.717082D-01  0.134383D+00 -0.158640D+01 -0.955588D+00
               131           132           133           134           135 
      1  -0.247313D+02 -0.190874D+01  0.702314D+00 -0.168384D+01 -0.438820D+00
      2   0.338742D+02  0.160756D+01 -0.954356D+00  0.238761D+01  0.122603D+01
      3  -0.914283D+01  0.301181D+00  0.252041D+00 -0.703773D+00 -0.787212D+00
      4  -0.696142D+01 -0.472116D+00 -0.424388D+00  0.123406D+00 -0.127481D+01
      5  -0.949594D+00 -0.980035D+00  0.453457D+00 -0.635134D+00 -0.308710D-01
      6   0.242685D+01  0.527589D+01 -0.344628D+00  0.122273D+01  0.284046D+00
               136           137           138           139           140 
      1   0.844664D+01  0.644150D+01  0.118399D+01  0.131025D+01 -0.966735D+01
      2   0.186657D+01  0.447084D+01  0.120795D+00  0.102934D+02  0.307222D+02
      3  -0.103132D+02 -0.109123D+02 -0.130478D+01 -0.116037D+02 -0.210548D+02
      4   0.218414D+02  0.252818D+02  0.525724D+01  0.270037D+02  0.464753D+02
      5   0.477907D+01  0.515123D+01  0.521323D+01  0.522444D+01  0.819385D+01
      6   0.355397D+01  0.414197D+01  0.316438D+01  0.502136D+01  0.104607D+02
               141           142           143           144           145 
      1  -0.194726D+01  0.112861D+01 -0.103088D+01 -0.767852D+00  0.982593D+02
      2   0.371150D+01  0.146981D+01  0.497209D+01  0.189717D+01 -0.563556D+02
      3  -0.176423D+01 -0.259843D+01 -0.394120D+01 -0.112932D+01 -0.419037D+02
      4   0.853812D+01  0.670747D+01  0.101532D+02  0.293806D+01  0.344846D+01
      5   0.571905D+01  0.208661D+01  0.239458D+01  0.183377D+01  0.126961D+02
      6   0.799982D+01  0.187082D+01  0.350653D+01  0.251377D+01 -0.189361D+01
               146           147           148           149           150 
      1   0.278236D+01  0.836723D+01  0.160567D+01  0.885264D+01  0.138087D+01
      2  -0.136867D+01 -0.578545D+01 -0.788641D+00 -0.431115D+01 -0.129288D+01
      3  -0.141368D+01 -0.258178D+01 -0.817025D+00 -0.454148D+01 -0.879898D-01
      4   0.849063D+01  0.110085D+00  0.142343D+02  0.107822D+01  0.132549D+01
      5   0.190709D+00  0.106592D+02  0.277038D+01  0.143047D+01  0.701388D+00
      6   0.588908D+00 -0.360926D-01  0.101524D+01 -0.142021D+00  0.168824D+01
               151           152           153           154           155 
      1   0.115534D+02  0.161241D+01  0.292001D+01  0.151338D+02 -0.100724D+02
      2  -0.678256D+01 -0.102687D+01 -0.173361D+01 -0.346260D+00 -0.364531D+01
      3  -0.477080D+01 -0.585540D+00 -0.118639D+01 -0.147876D+02  0.137177D+02
      4   0.283899D+01  0.119102D+01  0.561116D+00 -0.281774D+02  0.291130D+02
      5   0.241116D+01  0.368595D+00  0.202058D+01 -0.334102D+01  0.249250D+01
      6   0.280073D-01  0.585270D+00  0.414196D+00  0.107579D+01 -0.936193D+00
               156           157           158           159           160 
      1  -0.128610D+01 -0.576039D+01 -0.143665D+01 -0.971898D-02  0.551921D+00
      2   0.237339D+00 -0.874638D+01  0.231353D+02  0.115141D+01 -0.155773D+01
      3   0.104876D+01  0.145068D+02 -0.216987D+02 -0.114169D+01  0.100581D+01
      4   0.232821D+01  0.318558D+02 -0.464297D+02 -0.536931D+01  0.287359D+01
      5   0.485638D+01  0.438908D+01 -0.589693D+01 -0.516732D+01  0.140915D+01
      6  -0.271415D+01 -0.282208D+01  0.444221D+01  0.607697D+01 -0.110220D+01
               161           162           163           164           165 
      1  -0.127729D+01 -0.551046D+00 -0.501516D+01 -0.747025D+01 -0.286848D+01
      2   0.317442D+01  0.134944D+01  0.627817D+01  0.893424D+01  0.191447D+01
      3  -0.189712D+01 -0.798389D+00 -0.126301D+01 -0.146399D+01  0.954016D+00
      4  -0.490423D+01 -0.200620D+01  0.509634D+01  0.705943D+01  0.132148D+01
      5  -0.118918D+01 -0.587555D+00  0.713092D+00  0.887133D+00  0.166176D+01
      6   0.188111D+01  0.129772D+01  0.285032D+01  0.436740D+01  0.256787D+01
               166           167           168           169           170 
      1  -0.798571D+01 -0.279717D+02 -0.731790D+01 -0.200995D+01 -0.632834D+01
      2   0.101193D+02  0.359597D+02  0.644270D+01  0.235291D+01  0.746660D+01
      3  -0.213359D+01 -0.798797D+01  0.875195D+00 -0.342958D+00 -0.113827D+01
      4   0.597615D+01  0.252562D+01  0.120508D+00  0.167188D+01  0.117682D+01
      5   0.676095D+00 -0.509258D+00  0.502584D+00  0.987109D+00  0.658411D+00
      6   0.344406D+01  0.116331D+02  0.810074D+01  0.118161D+01  0.413920D+01
               171 
      1  -0.259006D+01
      2   0.272611D+01
      3  -0.136047D+00
      4   0.181451D+01
      5   0.113897D+01
      6   0.295774D+01

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.590086D+00      0.149985D+01      0.500296D+01
   x          0.104766D+00      0.266287D+00      0.888239D+00
   y         -0.325935D+00     -0.828443D+00     -0.276339D+01
   z          0.480616D+00      0.122160D+01      0.407484D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.945463D+02      0.140103D+02      0.155886D+02
   aniso      0.497710D+02      0.737530D+01      0.820613D+01
   xx         0.119506D+03      0.177089D+02      0.197038D+02
   yx         0.175632D+01      0.260260D+00      0.289578D+00
   yy         0.999482D+02      0.148108D+02      0.164792D+02
   zx         0.210176D+01      0.311449D+00      0.346533D+00
   zy         0.558917D+01      0.828229D+00      0.921529D+00
   zz         0.641851D+02      0.951125D+01      0.105827D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.102699D+03      0.152184D+02      0.169327D+02
   aniso      0.508764D+02      0.753910D+01      0.838838D+01
   xx         0.128801D+03      0.190863D+02      0.212364D+02
   yx         0.146082D+01      0.216471D+00      0.240857D+00
   yy         0.107479D+03      0.159268D+02      0.177209D+02
   zx         0.197379D+01      0.292485D+00      0.325433D+00
   zy         0.527271D+01      0.781336D+00      0.869353D+00
   zz         0.718155D+02      0.106420D+02      0.118408D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     8         -3.99775529          1.19432156         -2.54785024
     6         -2.96411114         -0.74215330         -0.99283232
     1         -4.33250321          2.65268076         -1.50763863
     1         -3.05181771         -2.43675144         -2.17197577
     6         -4.60802811         -1.14637770          1.34515575
     6         -0.21358665         -0.27789808         -0.30537431
     1         -4.57418160          0.54216472          2.53648181
     1         -3.93046465         -2.72329608          2.48364071
     1         -6.55299941         -1.52640729          0.78048593
     6          1.00404160          1.96899421         -0.92199656
     6          3.51352111          2.36602440         -0.24278496
     6          4.84530803          0.51215967          1.04811616
     6          3.65296374         -1.75294723          1.64806687
     6          1.14840725         -2.13905386          0.97664321
     1         -0.00106860          3.39868869         -1.97952751
     1          4.42917452          4.12679065         -0.74015040
     1          6.79874916          0.81798480          1.57093540
     1          4.67862371         -3.22149310          2.63647280
     1          0.24742690         -3.91743790          1.44411145

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.590086D+00      0.149985D+01      0.500296D+01
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.590086D+00      0.149985D+01      0.500296D+01

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.945463D+02      0.140103D+02      0.155886D+02
   aniso      0.497710D+02      0.737530D+01      0.820613D+01
   xx         0.117051D+03      0.173451D+02      0.192991D+02
   yx         0.644850D+01      0.955570D+00      0.106321D+01
   yy         0.945139D+02      0.140055D+02      0.155832D+02
   zx         0.100571D+02      0.149031D+01      0.165820D+01
   zy        -0.133143D+02     -0.197297D+01     -0.219522D+01
   zz         0.720744D+02      0.106803D+02      0.118835D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.102699D+03      0.152184D+02      0.169327D+02
   aniso      0.508764D+02      0.753910D+01      0.838838D+01
   xx         0.126308D+03      0.187168D+02      0.208253D+02
   yx         0.625910D+01      0.927502D+00      0.103199D+01
   yy         0.101755D+03      0.150786D+02      0.167772D+02
   zx         0.103647D+02      0.153589D+01      0.170891D+01
   zy        -0.134235D+02     -0.198916D+01     -0.221324D+01
   zz         0.800327D+02      0.118596D+02      0.131956D+02

 ----------------------------------------------------------------------
 1\1\GINC-CPN-F16-24\Freq\RwB97XD\Gen\C8H10O1\PIERPA\12-Aug-2021\0\\#P 
 wB97XD/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=120) Polar=ROA Gu
 ess=Read Geom=Check CPHF=RdFreq\\ROA calculations.\\0,1\O,-2.283987,1.
 15612,-0.373456\C,-1.655795,-0.121273,-0.36636\H,-2.318612,1.484471,0.
 532599\H,-1.860649,-0.52509,-1.361656\C,-2.302509,-1.029603,0.677627\C
 ,-0.1477,-0.039181,-0.192779\H,-2.12469,-0.633553,1.681464\H,-1.888324
 ,-2.037154,0.643744\H,-3.377784,-1.08747,0.505904\C,0.491776,1.164959,
 0.083802\C,1.871834,1.212975,0.256826\C,2.632604,0.057673,0.146221\C,2
 .004188,-1.148889,-0.145245\C,0.627734,-1.194232,-0.312182\H,-0.089333
 ,2.074672,0.140318\H,2.351589,2.159628,0.471088\H,3.706229,0.09535,0.2
 77421\H,2.588377,-2.054912,-0.244841\H,0.152296,-2.139482,-0.545858\\V
 ersion=ES64L-G16RevA.03\State=1-A\HF=-386.2758876\RMSD=4.625e-09\RMSF=
 4.960e-06\ZeroPoint=0.1608326\Thermal=0.1692188\Dipole=0.1047655,-0.32
 59345,0.4806164\DipoleDeriv=-0.7891136,0.1662208,0.0347325,0.208198,-0
 .765658,0.1079873,0.0494152,0.052172,-0.2402845,0.6077785,-0.1391033,-
 0.0313711,-0.2849796,0.6405667,-0.0945756,-0.0359204,-0.0505503,0.3071
 487,0.3701011,-0.0318351,-0.0661934,0.0027905,0.2757495,-0.0061985,-0.
 0426126,-0.0295301,0.090038,-0.0595983,0.0004474,-0.0166353,0.0031167,
 -0.0090439,-0.0333711,-0.0213212,-0.0499907,-0.0975751,-0.0175577,-0.0
 472657,0.0702818,0.0310167,-0.0304124,0.0773456,-0.0176551,0.1128793,0
 .0394036,0.1447876,0.061323,0.0157838,0.0107006,-0.1125276,0.0224336,0
 .0670173,0.0295765,-0.0837209,0.0581282,-0.037303,-0.0454525,-0.010679
 5,0.0040885,-0.0970472,0.0013345,-0.0376328,-0.0962276,0.0553377,0.090
 544,0.0083845,0.0612774,-0.0883714,0.0136855,0.00846,-0.0187892,0.0486
 208,-0.1852964,-0.0450963,-0.0014339,-0.0242487,0.0679748,0.0117863,-0
 .0144256,0.0123647,0.0472103,-0.1471023,-0.0649955,0.0205623,-0.067767
 7,0.0117783,-0.0052467,0.0044385,-0.0135137,-0.1250521,0.0192474,0.050
 6655,0.0239397,0.0489939,0.0977246,0.044838,0.0254014,0.0417874,-0.120
 1732,0.0459605,0.0021059,0.0334566,0.0124987,-0.0941881,0.0119834,0.02
 25808,0.0099653,-0.1378542,0.0159723,-0.0491478,0.0043664,-0.0688072,0
 .080312,0.032439,0.0043662,0.0282014,-0.1272709,-0.1326476,0.0397231,0
 .020479,0.0809953,0.0438896,0.0483379,0.0264008,0.0393599,-0.1146631,0
 .0666762,0.0755176,0.0050712,0.0669426,-0.021303,-0.0198267,0.0072522,
 -0.0117824,0.1202773,0.0185774,-0.0643562,-0.0202023,-0.0742645,-0.064
 9074,-0.0404985,-0.0267162,-0.0397555,0.1222822,-0.1071961,-0.0052041,
 -0.0276969,-0.0050637,0.0701527,-0.0121635,-0.0291785,-0.0123182,0.131
 3943,0.005068,0.0762385,0.0028047,0.0869088,-0.0527118,-0.0250968,0.00
 00736,-0.0250466,0.1266873,0.030877,-0.0784786,-0.0308769,-0.0776281,-
 0.0531133,-0.0368122,-0.0289108,-0.0373968,0.1097591\Polar=119.5056871
 ,1.7563184,99.9481782,2.101759,5.589169,64.1850941\Quadrupole=0.452806
 4,1.9294079,-2.3822143,1.3894273,-1.9810098,2.9810045\PG=C01 [X(C8H10O
 1)]\NImag=0\\0.12119804,-0.11408138,0.33677904,-0.00570978,0.13973326,
 0.54199710,-0.08808965,0.05718335,0.00678851,0.45746332,0.05059935,-0.
 17774373,-0.02530290,0.00602731,0.47606814,-0.01507245,0.02017547,-0.0
 9429089,0.01940195,0.06434023,0.57714953,-0.01026911,0.01768353,-0.003
 49632,-0.00251271,0.00850877,0.01916523,0.01431115,0.02286473,-0.07951
 154,-0.11642446,0.00264106,-0.02076800,-0.04129028,-0.02713021,0.10327
 050,0.01787627,-0.16147701,-0.45588987,-0.00209433,0.00191124,-0.00309
 870,-0.01496583,0.15613002,0.45318137,0.00115967,0.01268114,0.01671971
 ,-0.05733796,-0.02120501,-0.05238458,-0.00052452,0.00357169,0.00101084
 ,0.06884292,0.00351085,-0.02589026,-0.03319148,-0.01727146,-0.07388344
 ,-0.07511339,0.00120831,-0.00634478,-0.00016513,0.01462120,0.09777790,
 0.00295958,-0.00459984,0.00123372,-0.04518383,-0.08310023,-0.25987645,
 -0.00035792,0.00060553,0.00245705,0.04712875,0.09035855,0.28052869,0.0
 0544209,0.01766740,-0.01122874,-0.09704493,-0.02898860,0.03800216,0.00
 066983,-0.00135991,-0.00057872,0.00282436,0.00256500,-0.00326042,0.558
 72630,-0.00510147,-0.04549243,0.02740019,-0.02019887,-0.09837254,0.029
 70773,-0.00024047,0.00183640,0.00252577,0.00386705,0.00748848,-0.00541
 392,-0.03391811,0.53748514,0.00001794,0.00173322,0.00069768,0.02982492
 ,0.04034354,-0.13168724,-0.00070179,-0.00161287,0.00422080,0.01407263,
 0.02031781,-0.02311928,0.03511341,0.04203251,0.50788464,-0.02149049,0.
 01179795,-0.00260278,-0.17126051,-0.00807370,-0.01315962,0.00066735,0.
 00033234,-0.00023147,-0.01262149,-0.00389278,-0.00298144,-0.02155311,-
 0.01134657,0.00340990,0.61028871,0.04211756,-0.01174725,0.00393072,-0.
 01970330,-0.09151687,-0.00739095,0.00117845,0.00072794,0.00141398,-0.0
 1291061,0.00102490,-0.00132255,-0.02182499,-0.00002334,-0.00329423,-0.
 00050474,0.66404768,0.00058236,0.00011236,0.00392596,-0.01515592,-0.00
 485972,-0.07927004,0.00137336,0.00020247,0.00000611,-0.02922984,-0.004
 60403,-0.00182414,0.02204770,0.00262616,0.00417681,0.04613781,0.080780
 62,0.19720987,-0.00039734,0.00123691,-0.00091570,0.00106105,0.00595531
 ,0.01516277,0.00054194,0.00005933,-0.00082105,-0.00047841,-0.00208827,
 0.00218984,-0.05532372,-0.01722455,-0.04085554,0.00157545,0.00085739,0
 .00058709,0.05489608,-0.00066345,0.00346658,0.00013469,0.00301601,0.00
 514815,0.01981595,0.00019458,-0.00035642,-0.00097035,-0.00156263,-0.00
 182220,0.00302520,-0.01582436,-0.08239840,-0.08742069,0.00115789,0.000
 74038,-0.00011442,0.01943625,0.08711369,-0.00023071,-0.00037529,0.0031
 0319,-0.00234853,-0.00969426,-0.02540962,-0.00036143,0.00167220,-0.000
 34992,0.00244158,0.00352445,-0.00171531,-0.03982884,-0.08719451,-0.258
 86731,-0.00190135,-0.00000618,0.00120474,0.04198118,0.09376931,0.28588
 545,0.00107741,-0.00373667,0.00218004,0.00421083,-0.01145334,-0.003248
 68,-0.00041373,0.00020483,0.00023788,0.00057367,0.00044156,-0.00034856
 ,-0.08633612,0.09534728,0.00475771,0.00051247,0.00033195,-0.00033077,0
 .00156819,-0.00604872,0.00000549,0.09115925,-0.00179753,-0.00423762,0.
 00393624,0.00862389,-0.01570692,-0.00489939,0.00015834,0.00122293,0.00
 063602,0.00000077,0.00081583,0.00033889,0.09235003,-0.27247377,-0.0084
 0678,0.00072995,0.00037719,0.00024031,0.00414255,-0.01042133,-0.000454
 96,-0.10418620,0.29630636,0.00158167,0.00682170,-0.00262252,-0.0109106
 5,0.01768447,0.00305950,0.00009051,0.00023473,-0.00076209,-0.00064800,
 -0.00080422,0.00055264,0.00545717,-0.00982910,-0.04675057,-0.00038059,
 -0.00075493,0.00013710,0.01179013,-0.02780154,-0.00050735,-0.00619822,
 0.00903302,0.04792328,0.00274476,0.00073699,-0.00090001,-0.01540455,0.
 00062320,-0.00268289,-0.00047394,-0.00034350,-0.00004609,0.00055121,0.
 00026383,0.00031358,-0.30315511,-0.01298528,-0.04337205,-0.00013441,-0
 .00192779,0.00257542,-0.00342325,-0.00010062,-0.00064434,-0.01029046,-
 0.00069229,-0.00172476,0.32997296,0.00078877,0.00211480,-0.00099968,-0
 .02081158,-0.00289531,-0.00213201,-0.00063514,-0.00050009,-0.00022534,
 0.00079799,0.00057785,-0.00043493,-0.01071393,-0.04761473,-0.00351459,
 -0.00018707,-0.00212524,0.00292385,-0.01238680,-0.00132796,-0.00136504
 ,0.02940668,0.00318081,0.00523269,0.01454893,0.04817772,-0.00076574,-0
 .00229053,0.00082764,0.02544433,0.00147741,0.00252120,-0.00029847,0.00
 018768,-0.00000329,-0.00015629,-0.00093803,0.00107307,-0.04554151,-0.0
 0285368,-0.05570472,0.00036110,0.00373085,-0.00224479,-0.02885152,-0.0
 0029837,-0.00375677,0.00182385,0.00013194,-0.00082806,0.04649970,0.000
 82279,0.05758701,-0.00041741,-0.00381016,-0.00052529,-0.01648068,-0.02
 744526,-0.00745766,0.00004182,-0.00021000,0.00010073,-0.00259943,-0.00
 054007,-0.00062415,-0.00212637,0.00098143,-0.00214511,-0.16717564,-0.0
 4317938,-0.01870358,0.00011416,0.00026635,0.00038737,-0.00003264,-0.00
 044266,0.00010510,-0.00009905,-0.00072389,0.00107380,0.68166736,-0.000
 93066,-0.00488250,-0.00061051,-0.00999062,0.00708199,-0.00135986,0.001
 44938,0.00095386,-0.00079726,0.00180769,0.00008069,0.00057122,0.002198
 25,0.00026204,-0.00006464,-0.10151635,-0.27052357,-0.04565009,-0.00021
 910,0.00000655,0.00010680,-0.00006046,-0.00028308,0.00013948,0.0006076
 4,0.00019040,-0.00018500,-0.04683853,0.69531377,-0.00040796,-0.0014554
 6,0.00020418,-0.00479654,-0.00304484,0.00330800,-0.00024556,0.00006204
 ,-0.00003837,-0.00039477,0.00033586,-0.00019713,0.00063754,0.00048077,
 -0.00089821,-0.02882532,-0.03763483,-0.07541835,-0.00017832,-0.0001047
 9,0.00028572,0.00004061,-0.00023047,0.00013905,0.00039077,-0.00005468,
 0.00012624,0.06128987,0.08247295,0.15241533,0.00031963,0.00070607,0.00
 008440,0.00074571,-0.00196045,-0.00147489,-0.00042979,0.00024893,-0.00
 013575,-0.00068753,0.00039197,0.00039717,-0.00054413,-0.00021447,0.000
 20104,-0.02004751,-0.07937058,-0.01721717,-0.00004951,-0.00011248,0.00
 016811,0.00015970,0.00049756,-0.00016032,-0.00027725,0.00022090,0.0001
 1451,-0.32458520,0.02686031,-0.02775464,0.66652016,0.00192766,0.001974
 57,0.00045715,0.00131381,-0.00533881,-0.00186151,-0.00062772,-0.000300
 51,0.00041289,-0.00065209,-0.00029891,-0.00031497,-0.00018740,-0.00003
 260,-0.00026945,-0.03483917,0.02817217,-0.00005020,0.00000627,0.000038
 38,0.00007785,-0.00003217,-0.00002667,0.00000507,0.00004072,-0.0000641
 9,0.00018625,-0.03722846,-0.12657453,-0.01534761,0.01591081,0.71031954
 ,0.00026405,0.00041154,0.00050496,-0.00016629,-0.00210559,0.00728680,-
 0.00040286,-0.00008034,-0.00012897,0.00135384,0.00009929,0.00000907,-0
 .00179916,-0.00003593,-0.00050947,-0.00861094,-0.00490490,0.00355901,-
 0.00005758,-0.00000530,-0.00002432,0.00010117,0.00009452,-0.00002270,-
 0.00022445,-0.00029888,0.00034451,-0.03804805,-0.00827507,-0.06579305,
 0.06604739,0.09995971,0.15517886,-0.00050087,-0.00025928,-0.00005860,-
 0.00075796,-0.00087216,-0.00020562,0.00026165,-0.00001060,-0.00006968,
 -0.00034097,0.00015288,0.00018874,-0.00032545,0.00045595,-0.00038686,0
 .00167238,0.00406238,0.00164761,0.00001499,0.00009317,0.00007558,0.000
 05767,-0.00001115,-0.00007530,-0.00012396,-0.00013645,0.00012059,-0.03
 446944,0.02679698,-0.00045528,-0.19114740,0.12759871,0.00672252,0.7359
 7106,0.00012808,0.00093030,0.00018300,-0.00181527,-0.00241116,-0.00068
 001,-0.00044418,0.00016391,-0.00007621,-0.00020180,0.00070173,0.000663
 92,-0.00044172,0.00026232,-0.00008489,0.00566502,-0.06827589,-0.010449
 26,-0.00001669,-0.00012244,0.00014833,0.00016531,0.00041858,-0.0001512
 5,-0.00026838,0.00015397,0.00014413,0.07322705,0.03647349,0.01328635,0
 .06457114,-0.27123877,-0.02849748,-0.01076372,0.64334783,-0.00003370,0
 .00017712,0.00005507,-0.00034752,-0.00033246,-0.00122799,0.00003415,0.
 00004935,-0.00006188,-0.00028441,0.00014603,0.00008755,-0.00003995,-0.
 00001999,-0.00003521,0.00211424,-0.01067199,-0.00753430,0.00002524,0.0
 0000575,0.00002805,-0.00001263,0.00015645,-0.00002841,-0.00004090,0.00
 006519,0.00000601,0.00771901,0.00817394,0.00903436,-0.00400885,-0.0217
 6630,-0.06317768,0.06988606,0.09024465,0.15057754,-0.00086125,-0.00113
 942,-0.00029835,0.00450642,0.00479387,0.00091582,0.00047453,-0.0001379
 5,-0.00003247,0.00004355,-0.00113229,-0.00101482,0.00058825,-0.0006220
 2,0.00028511,-0.03566791,0.07388143,0.00827767,-0.00004598,0.00015270,
 -0.00015608,-0.00025634,-0.00049822,0.00014398,0.00025642,-0.00017237,
 -0.00015115,-0.04801884,-0.02855139,-0.00949096,0.06373886,-0.01771513
 ,0.00336931,-0.16900913,-0.04535269,-0.02099984,0.68000336,0.00248540,
 -0.00123585,0.00011656,0.00074266,-0.00397053,-0.00172324,0.00007992,-
 0.00009151,0.00022091,-0.00029041,-0.00047270,-0.00013188,-0.00010179,
 -0.00027250,0.00020424,0.02720039,0.03740328,0.00859767,-0.00000707,0.
 00021021,-0.00001435,0.00006717,0.00028866,-0.00017325,0.00001808,0.00
 005899,-0.00008909,-0.02995495,-0.01934684,-0.00571977,0.02899951,-0.0
 5911786,-0.00830640,-0.10862530,-0.27692585,-0.05219658,-0.04613042,0.
 69787288,0.00059971,-0.00043474,0.00000570,-0.00042180,-0.00120012,0.0
 0582532,0.00001771,0.00000750,0.00007306,0.00067578,0.00052040,0.00018
 122,-0.00039468,-0.00031295,-0.00009797,0.00022573,0.01397434,0.008813
 60,-0.00008610,0.00014483,-0.00019538,-0.00004823,-0.00031012,-0.00001
 356,0.00001695,-0.00032335,0.00001906,-0.00992252,-0.00541953,-0.00986
 355,0.01149958,-0.01368608,0.00601800,-0.03237306,-0.04542155,-0.07072
 299,0.05520085,0.09874304,0.15336672,-0.00692235,0.00387571,-0.0000384
 4,-0.01999124,0.02365464,0.00187774,-0.00073365,-0.00002054,-0.0004747
 3,0.00052746,0.00151351,0.00081081,-0.00094034,0.00071969,-0.00039409,
 -0.17894875,0.05310454,-0.00321968,-0.00012210,0.00001814,0.00044088,-
 0.00111339,0.00075821,0.00032541,-0.00008536,0.00022696,0.00025535,0.0
 6203728,0.02602177,0.01123053,-0.05371786,0.02811257,-0.00069318,-0.02
 326720,-0.07841044,-0.01730113,-0.33463683,0.02649767,-0.02742949,0.68
 215718,-0.00428911,0.00161185,-0.00044420,0.00923349,0.00678686,0.0013
 3136,0.00039002,-0.00027355,-0.00003726,-0.00126153,0.00007655,-0.0008
 1054,-0.00117572,-0.00022237,0.00008011,0.11183857,-0.25124229,-0.0202
 5297,0.00037557,-0.00043873,-0.00037512,-0.00037765,-0.00051620,0.0005
 1581,-0.00043224,-0.00013977,-0.00002860,-0.01673573,-0.05775877,-0.01
 418705,0.02701308,-0.01590035,0.00162890,-0.03179292,0.02900052,0.0002
 8762,-0.03775803,-0.12599985,-0.01676834,0.02323150,0.68304205,-0.0017
 9439,0.00075239,0.00156529,-0.00157725,0.00299429,0.00227926,-0.000440
 81,0.00026374,-0.00014410,0.00072159,0.00037953,0.00114105,0.00042965,
 0.00095851,0.00027562,0.00814901,-0.02820020,-0.07237843,-0.00008545,-
 0.00014618,0.00027744,0.00028232,-0.00070557,-0.00004991,-0.00000995,-
 0.00026816,0.00021722,0.00332211,-0.00896928,0.00976576,-0.00068438,0.
 00171938,-0.00690374,-0.00926135,-0.00502986,0.00427660,-0.03851170,-0
 .00942837,-0.06399065,0.06694234,0.10480466,0.15862545,-0.00221670,-0.
 00073652,0.00003303,-0.00039467,-0.00021907,0.00029849,-0.00176788,-0.
 00066757,0.00034065,0.00019422,0.00027961,0.00005881,-0.00007746,0.000
 23725,0.00007741,0.01310715,-0.00979748,-0.00034494,0.00001089,-0.0000
 1117,-0.00001141,0.00004378,0.00015662,-0.00007970,-0.00000146,-0.0000
 5030,0.00000845,-0.13658903,0.12533626,0.00592764,-0.01245129,0.027497
 39,0.00250079,-0.00507906,-0.00138690,-0.00183627,-0.00063613,-0.00083
 902,-0.00016150,-0.00096358,-0.00278954,-0.00153940,0.14594939,0.00197
 011,0.00306053,0.00078025,0.00293209,-0.00217223,0.00067362,-0.0013925
 7,0.00003425,0.00042168,-0.00007953,0.00006599,0.00004833,-0.00031575,
 0.00010701,-0.00022303,0.01516645,-0.01995958,-0.00155533,0.00001812,-
 0.00001706,0.00005975,0.00004015,0.00015571,-0.00004794,-0.00010421,-0
 .00006351,0.00005587,0.12545295,-0.25679488,-0.01636469,-0.00248707,0.
 00489323,0.00008292,-0.00071009,0.00183725,-0.00070598,-0.00095166,0.0
 0012261,-0.00003574,-0.00359662,-0.00331421,-0.00180796,-0.13698821,0.
 27223795,0.00015963,0.00048117,-0.00077392,0.00070713,0.00024763,-0.00
 369712,0.00057965,0.00019701,0.00047636,-0.00066886,-0.00015218,0.0000
 2335,0.00066540,0.00018385,0.00029933,0.00332625,-0.00572139,0.0036298
 9,0.00003762,0.00000329,-0.00003768,-0.00000741,0.00003356,-0.00003370
 ,0.00004208,0.00009702,-0.00014439,0.00498501,-0.01423493,-0.03724632,
 -0.00166786,0.00320942,0.00235788,-0.00139842,-0.00091001,0.00695733,-
 0.00022527,-0.00002084,-0.00036985,-0.00139056,-0.00206312,0.00532746,
 -0.00596781,0.01802096,0.02732235,-0.00002941,0.00035558,0.00006524,0.
 00046286,-0.00162323,-0.00023227,0.00001573,-0.00005127,-0.00002052,-0
 .00030159,-0.00002385,-0.00004794,-0.00028303,0.00007740,-0.00017957,-
 0.00580559,0.00086199,-0.00135149,0.00001263,0.00000971,0.00003563,0.0
 0001881,-0.00000337,-0.00000556,-0.00006900,-0.00006681,0.00010103,-0.
 00968279,-0.02904341,-0.00624414,-0.11310756,-0.10587325,-0.02690426,0
 .01178615,0.01625175,0.00383314,-0.00110299,0.00340744,-0.00038127,-0.
 00087757,0.00086564,0.00011005,0.00108043,0.00032527,0.00064132,0.1166
 4307,-0.00014719,0.00004983,-0.00000641,0.00035999,-0.00005935,0.00000
 366,0.00005540,-0.00001303,-0.00002972,-0.00006743,-0.00001130,0.00000
 543,-0.00004076,0.00000760,-0.00006560,0.00030650,0.00213863,-0.000806
 82,0.00000594,0.00000913,0.00000729,0.00000968,-0.00000020,0.00000537,
 -0.00001416,-0.00001915,0.00001095,0.00106317,0.00235303,0.00019529,-0
 .10576208,-0.26929289,-0.05149552,-0.01429543,-0.01870874,-0.00516171,
 0.00431872,-0.00260658,-0.00121652,0.00082991,0.00028828,0.00028037,-0
 .00046682,0.00073933,0.00069225,0.11447465,0.28528319,-0.00005776,0.00
 002420,0.00001416,0.00020833,-0.00023705,0.00009551,-0.00000324,-0.000
 02904,0.00002614,0.00002980,-0.00006140,-0.00000519,-0.00011802,0.0000
 2185,0.00004210,-0.00164244,-0.00105303,0.00697537,0.00001163,0.000004
 16,-0.00000452,0.00000696,0.00001146,-0.00003086,-0.00005302,0.0000101
 9,0.00003784,-0.00085237,-0.00310943,0.00149156,-0.02714456,-0.0511637
 6,-0.04681087,-0.00121424,-0.00193094,0.00173596,-0.00017361,-0.001286
 66,0.00727886,-0.00004565,0.00040456,-0.00062930,0.00060836,0.00063411
 ,-0.00359346,0.02984548,0.05691240,0.03800503,-0.00023087,-0.00004815,
 0.00000371,0.00007950,0.00005362,0.00011834,0.00009131,0.00000720,-0.0
 0004792,0.00002103,-0.00000929,0.00000603,-0.00001555,-0.00003488,-0.0
 0001462,0.00064454,0.00006597,0.00021576,0.00000070,0.00001496,0.00000
 112,0.00001636,0.00001342,-0.00001122,-0.00002312,0.00000086,0.0000095
 4,0.00046084,0.00358381,-0.00024577,-0.01323520,-0.00313143,-0.0022239
 8,-0.33091612,-0.00906390,-0.03611423,-0.01025329,0.00183644,-0.000983
 07,0.00102975,-0.00267873,-0.00124786,-0.00065777,-0.00024809,-0.00012
 342,0.00081022,0.00019709,0.00056891,0.35200607,0.00008679,0.00026574,
 0.00007016,0.00002843,-0.00012216,0.00014885,-0.00010851,-0.00002887,0
 .00002717,0.00005942,0.00003122,0.00005215,-0.00001306,-0.00002746,0.0
 0000327,0.00009682,-0.00139582,-0.00004996,-0.00000804,0.00001044,0.00
 000879,0.00001828,0.00005114,-0.00002573,-0.00001011,0.00001085,0.0000
 0159,0.00261002,-0.00395993,-0.00168695,0.02743523,0.00559809,0.003854
 97,-0.00909619,-0.05932914,-0.00563536,-0.02867848,0.00365908,-0.00283
 484,-0.00177816,-0.00423495,-0.00237535,0.00124800,0.00009548,0.000077
 98,-0.00067897,0.00088773,0.00071569,0.00967791,0.05764081,0.00002336,
 0.00004742,-0.00013115,0.00018416,0.00010409,-0.00081333,0.00002075,-0
 .00000354,0.00003410,-0.00010810,-0.00010874,-0.00007076,0.00008825,0.
 00001497,0.00002621,0.00015154,-0.00004128,-0.00102898,0.00000692,-0.0
 0000326,0.00002152,0.00001242,0.00004998,-0.00000787,-0.00000773,0.000
 05910,-0.00001816,-0.00034773,-0.00157719,0.00744048,0.00303863,0.0004
 6131,0.00190906,-0.03598331,-0.00562948,-0.03886608,-0.00654852,0.0005
 8379,0.00063084,-0.00101349,-0.00246655,0.00689947,0.00010638,-0.00002
 473,0.00028569,0.00040372,0.00079905,-0.00357400,0.03972575,0.00699391
 ,0.03044540,-0.00082523,0.00039889,0.00001358,0.00065858,0.00121768,0.
 00028021,0.00002271,-0.00001918,-0.00005656,-0.00000842,-0.00003417,-0
 .00005624,-0.00003974,0.00003340,-0.00005721,-0.00558511,-0.00149605,-
 0.00171907,-0.00000240,-0.00000122,0.00001535,0.00000092,-0.00003162,0
 .00000555,-0.00004465,-0.00002928,0.00003390,-0.00068861,-0.00094970,-
 0.00017988,-0.00035149,-0.00282579,-0.00135935,0.01169958,-0.01312258,
 -0.00133184,-0.13926688,0.12448196,0.01085943,-0.01263019,0.02800489,0
 .00348230,0.00001128,0.00007952,0.00014415,0.00036966,-0.00072219,-0.0
 0008769,0.00076084,0.00050201,0.00058997,0.14484972,0.00006336,-0.0000
 1023,0.00003245,-0.00027656,0.00009662,-0.00005348,-0.00004579,0.00000
 320,0.00001626,0.00005954,0.00000260,-0.00000729,0.00003721,-0.0000074
 7,0.00002540,-0.00061460,0.00193636,-0.00118126,-0.00000530,-0.0000095
 5,-0.00000224,-0.00001054,-0.00001053,0.00000987,0.00002726,0.00000975
 ,-0.00001269,-0.00090572,0.00017029,0.00005527,-0.00374207,-0.00309207
 ,-0.00232600,0.01727479,-0.01840142,-0.00177510,0.12467711,-0.25160418
 ,-0.02557318,-0.00231762,0.00421218,0.00015669,0.00005092,-0.00002985,
 0.00021191,0.00085966,-0.00098097,-0.00008964,-0.00039654,0.00089337,0
 .00077909,-0.13504441,0.26609374,-0.00006164,0.00008368,-0.00024748,-0
 .00002483,0.00012412,0.00031822,0.00004913,-0.00003400,-0.00000806,-0.
 00006356,-0.00001154,-0.00001191,0.00010356,0.00000170,-0.00001074,-0.
 00169920,-0.00095086,0.00748901,0.00000803,-0.00002337,-0.00001372,-0.
 00000633,-0.00001956,0.00002346,0.00000452,-0.00000994,-0.00002076,-0.
 00033036,0.00001320,-0.00063233,-0.00155521,-0.00223346,0.00661801,0.0
 0436340,-0.00507159,0.00147772,0.01065931,-0.02580601,-0.03831550,-0.0
 0177156,0.00358402,0.00231957,0.00017720,0.00016902,-0.00116917,0.0001
 9324,-0.00031809,0.00019635,0.00042428,0.00085625,-0.00332620,-0.01106
 343,0.02883749,0.02898577,0.00030908,-0.00051195,-0.00011423,0.0000865
 8,0.00040707,0.00069593,0.00002729,0.00002063,0.00000875,0.00016224,0.
 00004344,-0.00017797,-0.00048577,0.00016723,0.00034677,0.01182248,0.01
 425326,0.00382768,0.00004665,-0.00003511,-0.00006960,-0.00095638,0.000
 23171,0.00069480,0.00008024,-0.00007749,-0.00008148,-0.00135632,0.0034
 3813,-0.00029782,-0.00085232,0.00070468,0.00013105,-0.00552590,0.00127
 990,-0.00126055,-0.00985581,-0.02986767,-0.00689399,-0.11080125,-0.101
 66157,-0.02828681,0.00043791,0.00088914,0.00016136,0.00005996,-0.00010
 501,0.00011312,-0.00058924,-0.00139141,-0.00034296,0.00106944,0.000309
 30,0.00059344,0.11632115,0.00046813,0.00049816,0.00020496,-0.00203443,
 -0.00022072,0.00030725,-0.00028213,-0.00002469,0.00006232,0.00076454,0
 .00007985,0.00046695,0.00008820,-0.00051135,0.00021665,-0.01331690,-0.
 01975868,-0.00590937,-0.00013781,0.00017058,0.00010719,-0.00012712,0.0
 0085911,-0.00009424,0.00001192,0.00027481,-0.00005345,0.00441383,-0.00
 276200,-0.00105739,0.00079369,0.00028220,0.00019953,0.00013841,0.00212
 352,-0.00104064,0.00101624,0.00202853,0.00014695,-0.10244145,-0.264977
 26,-0.05537862,-0.00085345,-0.00099804,-0.00035359,-0.00012493,-0.0000
 6455,0.00022232,0.00015971,-0.00004562,-0.00003794,-0.00044216,0.00072
 817,0.00080892,0.11190570,0.28231797,0.00006957,0.00007935,-0.00017882
 ,0.00046817,0.00065014,-0.00247195,-0.00005626,-0.00013774,0.00001026,
 -0.00021612,-0.00053181,-0.00046725,0.00024522,-0.00029395,0.00005753,
 -0.00184043,-0.00188319,0.00257156,0.00005080,-0.00001492,0.00007578,0
 .00075239,0.00036446,-0.00017743,-0.00013683,0.00041576,-0.00003886,-0
 .00002617,-0.00122479,0.00587662,0.00025280,0.00020429,-0.00041538,-0.
 00152276,-0.00073785,0.00741835,-0.00124929,-0.00356978,0.00135707,-0.
 02811104,-0.05520330,-0.04887406,-0.00019619,-0.00018111,0.00038597,0.
 00013816,0.00018835,-0.00125067,-0.00006135,-0.00020257,0.00014377,0.0
 0048683,0.00089645,-0.00367227,0.03095251,0.06118220,0.03964979\\0.000
 00398,-0.00000463,0.00000152,-0.00001193,0.00001006,0.00000585,-0.0000
 0082,0.00000198,-0.00000032,0.00000300,-0.00000065,-0.00000063,0.00000
 248,0.00000032,-0.00000571,0.00000263,-0.00000324,-0.00000469,-0.00000
 072,-0.00000056,0.00000105,-0.00000306,-0.00000075,0.00000075,-0.00000
 072,-0.00000079,-0.00000062,-0.00001269,-0.00000520,-0.00000589,0.0000
 1337,-0.00000220,0.00000198,0.00000007,0.00001287,0.00000235,-0.000010
 19,-0.00000662,-0.00000221,0.00001306,-0.00000424,0.00000022,0.0000004
 9,0.00000214,0.00000486,-0.00000263,0.00000049,0.00000052,-0.00000017,
 -0.00000228,0.00000015,0.00000204,0.00000093,0.00000028,0.00000183,0.0
 0000236,0.00000053\\\@


 IT IS WELL TO REMEMBER THAT MAN IS A PART OF NATURE AND THAT HIS WORKS,
 WHATEVER THEY MAY BE, ARE NO MORE "UNNATURAL" THAN 
 THE FLIGHT OF AN EAGLE OR THE PASSAGE OF A TORNADO.

                                    -- CHARLES MCCARRY IN "THE GREAT SOUTHWEST"
 Job cpu time:       0 days  6 hours  2 minutes  5.7 seconds.
 Elapsed time:       0 days  0 hours 45 minutes 20.8 seconds.
 File lengths (MBytes):  RWF=    251 Int=      0 D2E=      0 Chk=      9 Scr=      2
 Normal termination of Gaussian 16 at Thu Aug 12 22:55:31 2021.
